N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide

C13H11FN4O — CID 65435106

IUPACN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESNCC#Cc1ccc(NC(=O)c2ccn[nH]2)cc1F
InChIInChI=1S/C13H11FN4O/c14-11-8-10(4-3-9(11)2-1-6-15)17-13(19)12-5-7-16-18-12/h3-5,7-8H,6,15H2,(H,16,18)(H,17,19)
InChIKeyAXXACYDEAMUACX-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.11
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide (PubChem CID 65435106) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
PubChem CID65435106
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESNCC#Cc1ccc(NC(=O)c2ccn[nH]2)cc1F
InChIInChI=1S/C13H11FN4O/c14-11-8-10(4-3-9(11)2-1-6-15)17-13(19)12-5-7-16-18-12/h3-5,7-8H,6,15H2,(H,16,18)(H,17,19)
InChIKeyAXXACYDEAMUACX-UHFFFAOYSA-N
XLogP1.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65437841
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 65435087
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1-ethylpyrrole-2-carboxamide
CID 65435488
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide
CID 75394550
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
CID 65438048

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide (CID 65435106) is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide is NCC#Cc1ccc(NC(=O)c2ccn[nH]2)cc1F.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AXXACYDEAMUACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-11-8-10(4-3-9(11)2-1-6-15)17-13(19)12-5-7-16-18-12/h3-5,7-8H,6,15H2,(H,16,18)(H,17,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 65435106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).