5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide

C18H17FN4O — CID 71856768

IUPAC5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cn[nH]c2-c2ccccc2F)cn1
InChIInChI=1S/C18H17FN4O/c1-12-6-7-13(10-21-12)8-9-20-18(24)15-11-22-23-17(15)14-4-2-3-5-16(14)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyQWBXXRNBRBBWDN-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.89
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 71856768) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID71856768
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cn[nH]c2-c2ccccc2F)cn1
InChIInChI=1S/C18H17FN4O/c1-12-6-7-13(10-21-12)8-9-20-18(24)15-11-22-23-17(15)14-4-2-3-5-16(14)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyQWBXXRNBRBBWDN-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
N-[1-[[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-2-methylpropan-2-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 167745276
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 71922084
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 72930885
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide (CID 71856768) is 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CCNC(=O)c2cn[nH]c2-c2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QWBXXRNBRBBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-6-7-13(10-21-12)8-9-20-18(24)15-11-22-23-17(15)14-4-2-3-5-16(14)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71856768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).