N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride

C14H18ClFN4O — CID 119581386

IUPACN-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl
InChIInChI=1S/C14H17FN4O.ClH/c1-9(8-16)19(2)14(20)13-7-12(17-18-13)10-3-5-11(15)6-4-10;/h3-7,9H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyPZHGZMBVOKAGEA-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.06
Rot. Bonds4

About N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119581386) has the molecular formula C14H18ClFN4O and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119581386
Molecular FormulaC14H18ClFN4O
Molecular Weight312.78 g/mol
Exact Mass312.12
IUPAC NameN-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl
InChIInChI=1S/C14H17FN4O.ClH/c1-9(8-16)19(2)14(20)13-7-12(17-18-13)10-3-5-11(15)6-4-10;/h3-7,9H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyPZHGZMBVOKAGEA-UHFFFAOYSA-N
XLogP2.06
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride (CID 119581386) is N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is PZHGZMBVOKAGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O.ClH/c1-9(8-16)19(2)14(20)13-7-12(17-18-13)10-3-5-11(15)6-4-10;/h3-7,9H,8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 312.78 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119581386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).