N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide

C17H19N5O2S — CID 58416174

IUPACN-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCOCC(C)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C17H19N5O2S/c1-11(10-24-3)19-17(23)22-8-6-14(21-22)15-12(2)20-16(25-15)13-5-4-7-18-9-13/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyNRYCXHBFQKNPAX-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.97
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide

N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (PubChem CID 58416174) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
PubChem CID58416174
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCOCC(C)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1
InChIInChI=1S/C17H19N5O2S/c1-11(10-24-3)19-17(23)22-8-6-14(21-22)15-12(2)20-16(25-15)13-5-4-7-18-9-13/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyNRYCXHBFQKNPAX-UHFFFAOYSA-N
XLogP2.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(1-propoxypropan-2-yl)pyrazole-1-carboxamide
CID 58416221
N-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 58416117
3-methyl-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazolo[5,4-b]pyridine-1-carboxamide
CID 123417106
5-[1-(3-but-3-yn-2-yl-2-pyridinyl)pyrazol-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 143925389
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16916934
N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916887
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123621011
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 100648662
2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole
CID 58416084

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (CID 58416174) is N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is COCC(C)NC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C)n1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The InChIKey is NRYCXHBFQKNPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11(10-24-3)19-17(23)22-8-6-14(21-22)15-12(2)20-16(25-15)13-5-4-7-18-9-13/h4-9,11H,10H2,1-3H3,(H,19,23).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 58416174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).