N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C16H15N5OS — CID 154837772

IUPACN-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(-c2nccs2)c1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C16H15N5OS/c22-15(13-8-19-21(11-13)16-18-6-7-23-16)20(10-12-3-4-12)14-2-1-5-17-9-14/h1-2,5-9,11-12H,3-4,10H2
InChIKeyVPMNDISEJCLAAN-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.78
Rot. Bonds5

About N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 154837772) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID154837772
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(-c2nccs2)c1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C16H15N5OS/c22-15(13-8-19-21(11-13)16-18-6-7-23-16)20(10-12-3-4-12)14-2-1-5-17-9-14/h1-2,5-9,11-12H,3-4,10H2
InChIKeyVPMNDISEJCLAAN-UHFFFAOYSA-N
XLogP2.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
CID 75501481
N-(cyclopropylmethyl)-2-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 75383418
6-(4-bromopyrazol-1-yl)-N-(cyclopropylmethyl)-N-pyridin-3-ylpyridazine-3-carboxamide
CID 99637493
N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 91662527
N-(cyclopropylmethyl)-2-[(2R)-oxolan-2-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 97078479
N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 99637473
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
CID 30845448
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 99608516
N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 99607094
1-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 82881117
4-[cyclobutylmethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186878
3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 105107919

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 154837772) is N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(c1cnn(-c2nccs2)c1)N(CC1CC1)c1cccnc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is VPMNDISEJCLAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(13-8-19-21(11-13)16-18-6-7-23-16)20(10-12-3-4-12)14-2-1-5-17-9-14/h1-2,5-9,11-12H,3-4,10H2.
What are the key properties of N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 154837772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).