N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride

C20H21ClN4O — CID 123743286

IUPACN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)Cc3cccnc3)cc2)n1.Cl
InChIInChI=1S/C20H20N4O.ClH/c1-14-11-19(16-4-5-16)24(23-14)18-8-6-17(7-9-18)22-20(25)12-15-3-2-10-21-13-15;/h2-3,6-11,13,16H,4-5,12H2,1H3,(H,22,25);1H
InChIKeyFMDFPUYOXDYMMZ-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.06
Rot. Bonds5

About N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride

N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride (PubChem CID 123743286) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride
PubChem CID123743286
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride
SMILESCc1cc(C2CC2)n(-c2ccc(NC(=O)Cc3cccnc3)cc2)n1.Cl
InChIInChI=1S/C20H20N4O.ClH/c1-14-11-19(16-4-5-16)24(23-14)18-8-6-17(7-9-18)22-20(25)12-15-3-2-10-21-13-15;/h2-3,6-11,13,16H,4-5,12H2,1H3,(H,22,25);1H
InChIKeyFMDFPUYOXDYMMZ-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride (CID 123743286) is N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride is Cc1cc(C2CC2)n(-c2ccc(NC(=O)Cc3cccnc3)cc2)n1.Cl.
What is the InChIKey of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride?
The InChIKey is FMDFPUYOXDYMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.ClH/c1-14-11-19(16-4-5-16)24(23-14)18-8-6-17(7-9-18)22-20(25)12-15-3-2-10-21-13-15;/h2-3,6-11,13,16H,4-5,12H2,1H3,(H,22,25);1H.
What are the key properties of N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride?
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 123743286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).