N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H23N5O2 — CID 133120307

IUPACN-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1C[C@@H](NC(=O)c2cnn3c(C)cc(C)nc23)[C@H](C2CC2)C1
InChIInChI=1S/C18H23N5O2/c1-10-6-11(2)23-17(20-10)14(7-19-23)18(25)21-16-9-22(12(3)24)8-15(16)13-4-5-13/h6-7,13,15-16H,4-5,8-9H2,1-3H3,(H,21,25)/t15-,16+/m0/s1
InChIKeyKOXMCSAZSUBGCD-JKSUJKDBSA-N
MW341.42 g/mol
LogP1.33
Rot. Bonds3

About N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 133120307) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID133120307
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1C[C@@H](NC(=O)c2cnn3c(C)cc(C)nc23)[C@H](C2CC2)C1
InChIInChI=1S/C18H23N5O2/c1-10-6-11(2)23-17(20-10)14(7-19-23)18(25)21-16-9-22(12(3)24)8-15(16)13-4-5-13/h6-7,13,15-16H,4-5,8-9H2,1-3H3,(H,21,25)/t15-,16+/m0/s1
InChIKeyKOXMCSAZSUBGCD-JKSUJKDBSA-N
XLogP1.33
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 93451747
5,7-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91797859
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98331279
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 72863523
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65453460
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680164
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243482
3-[(3aR,8aS)-6-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-N-methyl-3-oxopropanamide
CID 171680337
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
CID 60826894

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 133120307) is N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)N1C[C@@H](NC(=O)c2cnn3c(C)cc(C)nc23)[C@H](C2CC2)C1.
What is the InChIKey of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KOXMCSAZSUBGCD-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-10-6-11(2)23-17(20-10)14(7-19-23)18(25)21-16-9-22(12(3)24)8-15(16)13-4-5-13/h6-7,13,15-16H,4-5,8-9H2,1-3H3,(H,21,25)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 133120307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).