5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide

C14H17FN4O — CID 119432488

IUPAC5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
SMILESCNCCCNC(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C14H17FN4O/c1-16-7-4-8-17-14(20)11-9-18-19-13(11)10-5-2-3-6-12(10)15/h2-3,5-6,9,16H,4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyZDNSXXAHPGPQGZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.56
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 119432488) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
PubChem CID119432488
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
SMILESCNCCCNC(=O)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C14H17FN4O/c1-16-7-4-8-17-14(20)11-9-18-19-13(11)10-5-2-3-6-12(10)15/h2-3,5-6,9,16H,4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyZDNSXXAHPGPQGZ-UHFFFAOYSA-N
XLogP1.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
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5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71856768
N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 167745276
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 71922084
5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 72930885

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide (CID 119432488) is 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide is CNCCCNC(=O)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZDNSXXAHPGPQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-16-7-4-8-17-14(20)11-9-18-19-13(11)10-5-2-3-6-12(10)15/h2-3,5-6,9,16H,4,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119432488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).