N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C14H17FN4O — CID 119494892

IUPACN-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(N)CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-9(16)6-7-17-14(20)13-8-12(18-19-13)10-2-4-11(15)5-3-10/h2-5,8-9H,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyVNOSIDKOHGHGOA-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.68
Rot. Bonds5

About N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 119494892) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID119494892
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(N)CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-9(16)6-7-17-14(20)13-8-12(18-19-13)10-2-4-11(15)5-3-10/h2-5,8-9H,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyVNOSIDKOHGHGOA-UHFFFAOYSA-N
XLogP1.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
3-(4-fluorophenyl)-N-[3-(2-fluorophenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90547769
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 94101680
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-(3-amino-4-methylpentyl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119657391
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 118484167
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 119494892) is N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is CC(N)CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VNOSIDKOHGHGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9(16)6-7-17-14(20)13-8-12(18-19-13)10-2-4-11(15)5-3-10/h2-5,8-9H,6-7,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119494892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).