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

C14H20N4OS — CID 72856587

IUPAC5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(C)Cc2cncs2)c1C
InChIInChI=1S/C14H20N4OS/c1-4-5-18-11(3)13(8-16-18)14(19)17-10(2)6-12-7-15-9-20-12/h7-10H,4-6H2,1-3H3,(H,17,19)
InChIKeyJGZUMANVIDSCAG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.42
Rot. Bonds6

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

5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 72856587) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
PubChem CID72856587
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC(C)Cc2cncs2)c1C
InChIInChI=1S/C14H20N4OS/c1-4-5-18-11(3)13(8-16-18)14(19)17-10(2)6-12-7-15-9-20-12/h7-10H,4-6H2,1-3H3,(H,17,19)
InChIKeyJGZUMANVIDSCAG-UHFFFAOYSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 98078761
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 51595031
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91781993
(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
CID 97286145
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
CID 97143423
5-amino-1-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 115330850
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide (CID 72856587) is 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)NC(C)Cc2cncs2)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is JGZUMANVIDSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-5-18-11(3)13(8-16-18)14(19)17-10(2)6-12-7-15-9-20-12/h7-10H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 72856587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).