4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C19H22F3N7 — CID 135374287

IUPAC4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C19H22F3N7/c1-11-14(10-29(26-11)18(2,3)15-7-8-28(4)27-15)24-17-23-9-13(19(20,21)22)16(25-17)12-5-6-12/h7-10,12H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyFWDQVPKFHARCSR-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.14
Rot. Bonds5

About 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 135374287) has the molecular formula C19H22F3N7 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID135374287
Molecular FormulaC19H22F3N7
Molecular Weight405.43 g/mol
Exact Mass405.19
IUPAC Name4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C19H22F3N7/c1-11-14(10-29(26-11)18(2,3)15-7-8-28(4)27-15)24-17-23-9-13(19(20,21)22)16(25-17)12-5-6-12/h7-10,12H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyFWDQVPKFHARCSR-UHFFFAOYSA-N
XLogP4.14
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 135374287) is 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FWDQVPKFHARCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7/c1-11-14(10-29(26-11)18(2,3)15-7-8-28(4)27-15)24-17-23-9-13(19(20,21)22)16(25-17)12-5-6-12/h7-10,12H,5-6H2,1-4H3,(H,23,24,25).
What are the key properties of 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 405.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 135374287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).