2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one

C15H25ClN4O — CID 122140242

IUPAC2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1C(=O)C(C)N
InChIInChI=1S/C15H25ClN4O/c1-9(2)8-20-14(16)13(11(4)18-20)12-6-5-7-19(12)15(21)10(3)17/h9-10,12H,5-8,17H2,1-4H3
InChIKeyCFJBTINAPBIGGU-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one

2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 122140242) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID122140242
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1C(=O)C(C)N
InChIInChI=1S/C15H25ClN4O/c1-9(2)8-20-14(16)13(11(4)18-20)12-6-5-7-19(12)15(21)10(3)17/h9-10,12H,5-8,17H2,1-4H3
InChIKeyCFJBTINAPBIGGU-UHFFFAOYSA-N
XLogP2.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone
CID 124681798
methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 167815516
3-bromo-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-2-methylpyridine
CID 167978780
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 167921473
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133472487
(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 124604355
7-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-ethyltriazolo[4,5-d]pyrimidine
CID 167912758
4-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-3-nitrobenzenesulfonamide
CID 133361893
[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735790
2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133361899
1-tert-butyl-6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167985238
2-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 167792605

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one (CID 122140242) is 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one is Cc1nn(CC(C)C)c(Cl)c1C1CCCN1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is CFJBTINAPBIGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-9(2)8-20-14(16)13(11(4)18-20)12-6-5-7-19(12)15(21)10(3)17/h9-10,12H,5-8,17H2,1-4H3.
What are the key properties of 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one?
2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 312.85 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 122140242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).