N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide

C17H16N4OS — CID 50976083

IUPACN-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C17H16N4OS/c22-17(21(13-6-7-13)11-16-18-8-9-23-16)15-10-14(19-20-15)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,19,20)
InChIKeyFVUNMZPMEPGUQU-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.34
Rot. Bonds5

About N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide

N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 50976083) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID50976083
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1nccs1)C1CC1
InChIInChI=1S/C17H16N4OS/c22-17(21(13-6-7-13)11-16-18-8-9-23-16)15-10-14(19-20-15)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,19,20)
InChIKeyFVUNMZPMEPGUQU-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 50976083) is N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FVUNMZPMEPGUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17(21(13-6-7-13)11-16-18-8-9-23-16)15-10-14(19-20-15)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,19,20).
What are the key properties of N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide?
N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50976083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).