N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N5OS — CID 97208137

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)c2n1
InChIInChI=1S/C17H21N5OS/c1-9-7-10(2)22-16(19-9)14(8-18-22)17(23)21(6)11(3)15-12(4)24-13(5)20-15/h7-8,11H,1-6H3/t11-/m0/s1
InChIKeyCRWFJNMXMPNZSX-NSHDSACASA-N
MW343.46 g/mol
LogP3.25
Rot. Bonds3

About N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 97208137) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID97208137
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)c2n1
InChIInChI=1S/C17H21N5OS/c1-9-7-10(2)22-16(19-9)14(8-18-22)17(23)21(6)11(3)15-12(4)24-13(5)20-15/h7-8,11H,1-6H3/t11-/m0/s1
InChIKeyCRWFJNMXMPNZSX-NSHDSACASA-N
XLogP3.25
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46587804
N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55103751
4-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 126425178
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
CID 60826894
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
CID 118766185
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 70788438
2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
CID 97155572
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 97204849
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239036

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 97208137) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)c2n1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CRWFJNMXMPNZSX-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N5OS/c1-9-7-10(2)22-16(19-9)14(8-18-22)17(23)21(6)11(3)15-12(4)24-13(5)20-15/h7-8,11H,1-6H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 97208137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).