5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide

C16H17N5OS — CID 126824859

IUPAC5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccns2)cnn1-c1ccccn1
InChIInChI=1S/C16H17N5OS/c1-11(2)15-13(16(22)18-9-12-6-8-20-23-12)10-19-21(15)14-5-3-4-7-17-14/h3-8,10-11H,9H2,1-2H3,(H,18,22)
InChIKeyGCDPNCGVSWNCSG-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.78
Rot. Bonds5

About 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide

5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 126824859) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID126824859
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccns2)cnn1-c1ccccn1
InChIInChI=1S/C16H17N5OS/c1-11(2)15-13(16(22)18-9-12-6-8-20-23-12)10-19-21(15)14-5-3-4-7-17-14/h3-8,10-11H,9H2,1-2H3,(H,18,22)
InChIKeyGCDPNCGVSWNCSG-UHFFFAOYSA-N
XLogP2.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
N-[[4-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38008796
N-[(2-ethoxy-3-pyridinyl)methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426796
5-propan-2-yl-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46430520
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 43070041
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 43069999
N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427330
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38032304
N-(5-chloro-1-methylpyrazol-4-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126834415
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427210

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide (CID 126824859) is 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCc2ccns2)cnn1-c1ccccn1.
What is the InChIKey of 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is GCDPNCGVSWNCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11(2)15-13(16(22)18-9-12-6-8-20-23-12)10-19-21(15)14-5-3-4-7-17-14/h3-8,10-11H,9H2,1-2H3,(H,18,22).
What are the key properties of 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide?
5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 126824859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).