(3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one

C17H19F3N6O — CID 140943563

IUPAC(3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one
SMILESCc1nn([C@]2(C)CCNC2=O)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H19F3N6O/c1-9-12(8-26(25-9)16(2)5-6-21-14(16)27)23-15-22-7-11(17(18,19)20)13(24-15)10-3-4-10/h7-8,10H,3-6H2,1-2H3,(H,21,27)(H,22,23,24)/t16-/m1/s1
InChIKeyYQQRIRZQERAGST-MRXNPFEDSA-N
MW380.37 g/mol
LogP2.86
Rot. Bonds4

About (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one

(3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one (PubChem CID 140943563) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one
PubChem CID140943563
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name(3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one
SMILESCc1nn([C@]2(C)CCNC2=O)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H19F3N6O/c1-9-12(8-26(25-9)16(2)5-6-21-14(16)27)23-15-22-7-11(17(18,19)20)13(24-15)10-3-4-10/h7-8,10H,3-6H2,1-2H3,(H,21,27)(H,22,23,24)/t16-/m1/s1
InChIKeyYQQRIRZQERAGST-MRXNPFEDSA-N
XLogP2.86
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 135374556
6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine
CID 140943276
[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-3-yl]methanol
CID 140943461
2-N-[1-[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 134277983
(3R)-3-[4-cyclopropyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 130409011
cis-(1S,2R)-2-[3-cyclopropyl-4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile
CID 146565751
4-N-ethyl-2-N-[3-methyl-1-[(4R)-1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 166595973
2-N-[3-cyclopropyl-1-[(1S,2R)-2-methylcyclopropyl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 146606632
8-[3-[[2-[[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-5-oxa-8-azaspiro[2.6]nonan-9-one
CID 155270099
4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclohexan-1-one
CID 44621123
N-[3-[[2-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 155414871
2-N-[3-cyclopropyl-1-[(1S,2R)-2-methylcyclopropyl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 155461424

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one (CID 140943563) is (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one is Cc1nn([C@]2(C)CCNC2=O)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one?
The InChIKey is YQQRIRZQERAGST-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-9-12(8-26(25-9)16(2)5-6-21-14(16)27)23-15-22-7-11(17(18,19)20)13(24-15)10-3-4-10/h7-8,10H,3-6H2,1-2H3,(H,21,27)(H,22,23,24)/t16-/m1/s1.
What are the key properties of (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one?
(3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one has a molecular weight of 380.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 140943563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).