N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H25N5O2 — CID 146746840

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C21H25N5O2/c1-12-18(20(27)24-16-11-7-6-10-15(16)22)21(28)26-19(23-12)17(13(2)25-26)14-8-4-3-5-9-14/h3-5,8-9,15-16,25H,6-7,10-11,22H2,1-2H3,(H,24,27)/t15-,16-/m1/s1
InChIKeyLZUWESQIIFTMOA-HZPDHXFCSA-N
MW379.46 g/mol
LogP2.31
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 146746840) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID146746840
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C21H25N5O2/c1-12-18(20(27)24-16-11-7-6-10-15(16)22)21(28)26-19(23-12)17(13(2)25-26)14-8-4-3-5-9-14/h3-5,8-9,15-16,25H,6-7,10-11,22H2,1-2H3,(H,24,27)/t15-,16-/m1/s1
InChIKeyLZUWESQIIFTMOA-HZPDHXFCSA-N
XLogP2.31
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2,5-dimethyl-7-oxo-3-phenyl-N-(2H-pyrrol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 160698471
5-methyl-N-(oxan-4-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557648
N-(2-ethyl-4-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 158611121
5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
CID 158780230
5-methyl-N-(4-methylphenyl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557400
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557507
N-(3,5-dimethoxyphenyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557456
5-methyl-N-(6-methylsulfonyl-3-pyridinyl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557539
N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040267
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 146746840) is N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LZUWESQIIFTMOA-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12-18(20(27)24-16-11-7-6-10-15(16)22)21(28)26-19(23-12)17(13(2)25-26)14-8-4-3-5-9-14/h3-5,8-9,15-16,25H,6-7,10-11,22H2,1-2H3,(H,24,27)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 146746840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).