N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

C18H15ClN4O — CID 34136216

IUPACN-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H15ClN4O/c19-13-8-9-17(20-11-13)21-18(24)16-10-15(12-6-7-12)22-23(16)14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H,20,21,24)
InChIKeyVLSLOUVJQYZLMD-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.05
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (PubChem CID 34136216) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
PubChem CID34136216
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H15ClN4O/c19-13-8-9-17(20-11-13)21-18(24)16-10-15(12-6-7-12)22-23(16)14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H,20,21,24)
InChIKeyVLSLOUVJQYZLMD-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (CID 34136216) is N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is VLSLOUVJQYZLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-13-8-9-17(20-11-13)21-18(24)16-10-15(12-6-7-12)22-23(16)14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H,20,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 34136216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).