1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C12H16N4OS — CID 84596472

IUPAC1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCCCc1cnc(NC(=O)c2cnn(CC)c2)s1
InChIInChI=1S/C12H16N4OS/c1-3-5-10-7-13-12(18-10)15-11(17)9-6-14-16(4-2)8-9/h6-8H,3-5H2,1-2H3,(H,13,15,17)
InChIKeyUYGJACSTNGRCAY-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.56
Rot. Bonds5

About 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 84596472) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID84596472
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCCCc1cnc(NC(=O)c2cnn(CC)c2)s1
InChIInChI=1S/C12H16N4OS/c1-3-5-10-7-13-12(18-10)15-11(17)9-6-14-16(4-2)8-9/h6-8H,3-5H2,1-2H3,(H,13,15,17)
InChIKeyUYGJACSTNGRCAY-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-isopropyl-1H-pyrazole-4-carboxamide
CID 70741951
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35524868
3-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47298958
1,5-dimethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 75445495
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
1-tert-butyl-6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268834
1-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51097781
5-(difluoromethyl)-1-(2-methylpropyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 121833108
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 19580079
N-(5-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 22170640
N-[5-[[3-[(4-ethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500169
N-[5-[[3-[(4-cyclopropylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500172

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 84596472) is 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is CCCc1cnc(NC(=O)c2cnn(CC)c2)s1.
What is the InChIKey of 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is UYGJACSTNGRCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-5-10-7-13-12(18-10)15-11(17)9-6-14-16(4-2)8-9/h6-8H,3-5H2,1-2H3,(H,13,15,17).
What are the key properties of 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 84596472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).