5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide

C17H22N6OS — CID 45172138

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1csc(C(C)N(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)n1
InChIInChI=1S/C17H22N6OS/c1-10-6-12(3)23(21-10)8-14-7-15(20-19-14)17(24)22(5)13(4)16-18-11(2)9-25-16/h6-7,9,13H,8H2,1-5H3,(H,19,20)
InChIKeyVNLZAYNSNZLSBO-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.87
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 45172138) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID45172138
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1csc(C(C)N(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)n1
InChIInChI=1S/C17H22N6OS/c1-10-6-12(3)23(21-10)8-14-7-15(20-19-14)17(24)22(5)13(4)16-18-11(2)9-25-16/h6-7,9,13H,8H2,1-5H3,(H,19,20)
InChIKeyVNLZAYNSNZLSBO-UHFFFAOYSA-N
XLogP2.87
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-(1,3-thiazol-2-yl)piperidine
CID 45176959
2-[1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-pyrrolidinyl]-1,3-thiazole
CID 45188891
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
(5-methyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145418
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145439
5-[(cyclopropylmethylamino)methyl]-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 177700551
3-(1-(2,4-dimethylthiazole-5-carbonyl)piperidin-2-yl)-1H-pyrazole-5-carboxamide
CID 91628810
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122568970

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 45172138) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1csc(C(C)N(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VNLZAYNSNZLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-10-6-12(3)23(21-10)8-14-7-15(20-19-14)17(24)22(5)13(4)16-18-11(2)9-25-16/h6-7,9,13H,8H2,1-5H3,(H,19,20).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45172138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).