N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H20N6O — CID 95123577

IUPACN-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N[C@H](Cn3ccnc3)C(C)C)cnn2c1
InChIInChI=1S/C16H20N6O/c1-11(2)14(9-21-5-4-17-10-21)20-16(23)13-7-19-22-8-12(3)6-18-15(13)22/h4-8,10-11,14H,9H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyNMCJRKZJZWSRCM-CQSZACIVSA-N
MW312.38 g/mol
LogP1.69
Rot. Bonds5

About N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95123577) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95123577
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N[C@H](Cn3ccnc3)C(C)C)cnn2c1
InChIInChI=1S/C16H20N6O/c1-11(2)14(9-21-5-4-17-10-21)20-16(23)13-7-19-22-8-12(3)6-18-15(13)22/h4-8,10-11,14H,9H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyNMCJRKZJZWSRCM-CQSZACIVSA-N
XLogP1.69
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]pyrimidine-5-carboxamide
CID 95122330
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
CID 50956729
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 94612533
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56748172
N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50982007
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156823516
6-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74236670
6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131923435

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95123577) is N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)N[C@H](Cn3ccnc3)C(C)C)cnn2c1.
What is the InChIKey of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NMCJRKZJZWSRCM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11(2)14(9-21-5-4-17-10-21)20-16(23)13-7-19-22-8-12(3)6-18-15(13)22/h4-8,10-11,14H,9H2,1-3H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95123577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).