N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

C17H22N6OS — CID 42514288

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)sc1C
InChIInChI=1S/C17H22N6OS/c1-10(2)16-18-5-6-23(16)9-13-7-14(22-21-13)17(24)19-8-15-20-11(3)12(4)25-15/h5-7,10H,8-9H2,1-4H3,(H,19,24)(H,21,22)
InChIKeyBYMJOXIBQFRQKQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.78
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42514288) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42514288
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)sc1C
InChIInChI=1S/C17H22N6OS/c1-10(2)16-18-5-6-23(16)9-13-7-14(22-21-13)17(24)19-8-15-20-11(3)12(4)25-15/h5-7,10H,8-9H2,1-4H3,(H,19,24)(H,21,22)
InChIKeyBYMJOXIBQFRQKQ-UHFFFAOYSA-N
XLogP2.78
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50950166
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50964579
N-[2-(1H-imidazol-1-yl)propyl]-5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56747850
[3,5-Dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazol-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 2745292
N-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42510746
5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 45222444
N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56754415
[5-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 56861053
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 131898205
N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 90653066
[3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 110095502
[(3R)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124973748

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42514288) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1nc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BYMJOXIBQFRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-10(2)16-18-5-6-23(16)9-13-7-14(22-21-13)17(24)19-8-15-20-11(3)12(4)25-15/h5-7,10H,8-9H2,1-4H3,(H,19,24)(H,21,22).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42514288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).