5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C13H16N4OS — CID 29085523

IUPAC5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ncsc1CCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H16N4OS/c1-8-12(19-7-15-8)4-5-14-13(18)11-6-10(16-17-11)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyRWOLIABZXVFGJD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.02
Rot. Bonds5

About 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 29085523) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID29085523
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ncsc1CCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H16N4OS/c1-8-12(19-7-15-8)4-5-14-13(18)11-6-10(16-17-11)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyRWOLIABZXVFGJD-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 29085523) is 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1ncsc1CCNC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RWOLIABZXVFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-12(19-7-15-8)4-5-14-13(18)11-6-10(16-17-11)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 29085523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).