N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C16H12ClFN4OS — CID 134596514

IUPACN-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cnc(Cl)s2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H12ClFN4OS/c17-15-19-9-13(24-15)22-8-5-12(21-22)20-14(23)16(6-7-16)10-3-1-2-4-11(10)18/h1-5,8-9H,6-7H2,(H,20,21,23)
InChIKeyXBVDDWMLKJGBDT-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134596514) has the molecular formula C16H12ClFN4OS and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134596514
Molecular FormulaC16H12ClFN4OS
Molecular Weight362.82 g/mol
Exact Mass362.04
IUPAC NameN-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cnc(Cl)s2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H12ClFN4OS/c17-15-19-9-13(24-15)22-8-5-12(21-22)20-14(23)16(6-7-16)10-3-1-2-4-11(10)18/h1-5,8-9H,6-7H2,(H,20,21,23)
InChIKeyXBVDDWMLKJGBDT-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134596514) is N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2cnc(Cl)s2)n1)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XBVDDWMLKJGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4OS/c17-15-19-9-13(24-15)22-8-5-12(21-22)20-14(23)16(6-7-16)10-3-1-2-4-11(10)18/h1-5,8-9H,6-7H2,(H,20,21,23).
What are the key properties of N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134596514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).