N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C18H21ClN4 — CID 51970925

IUPACN-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H](C)Nc1cc(C)nc2c(C)c(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C18H21ClN4/c1-5-11(2)20-16-9-12(3)21-18-13(4)17(22-23(16)18)14-7-6-8-15(19)10-14/h6-11,20H,5H2,1-4H3/t11-/m0/s1
InChIKeyJBOGSNBMKBGUKC-NSHDSACASA-N
MW328.85 g/mol
LogP4.88
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51970925) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID51970925
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC NameN-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H](C)Nc1cc(C)nc2c(C)c(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C18H21ClN4/c1-5-11(2)20-16-9-12(3)21-18-13(4)17(22-23(16)18)14-7-6-8-15(19)10-14/h6-11,20H,5H2,1-4H3/t11-/m0/s1
InChIKeyJBOGSNBMKBGUKC-NSHDSACASA-N
XLogP4.88
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299275
N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 8741365
3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 50746501
N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 51613132
3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 50746549
7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
2-[2-[[2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
CID 46299423
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430829
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 46299280

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 51970925) is N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CC[C@H](C)Nc1cc(C)nc2c(C)c(-c3cccc(Cl)c3)nn12.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JBOGSNBMKBGUKC-NSHDSACASA-N. The full InChI is InChI=1S/C18H21ClN4/c1-5-11(2)20-16-9-12(3)21-18-13(4)17(22-23(16)18)14-7-6-8-15(19)10-14/h6-11,20H,5H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 328.85 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51970925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).