N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide

C16H17FN6O — CID 146081811

IUPACN-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H17FN6O/c1-2-8-23-13(6-7-18-23)15(24)20-16-19-14(21-22-16)10-11-4-3-5-12(17)9-11/h3-7,9H,2,8,10H2,1H3,(H2,19,20,21,22,24)
InChIKeyJOMLZZNHJSQWRK-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.39
Rot. Bonds6

About N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide (PubChem CID 146081811) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide
PubChem CID146081811
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H17FN6O/c1-2-8-23-13(6-7-18-23)15(24)20-16-19-14(21-22-16)10-11-4-3-5-12(17)9-11/h3-7,9H,2,8,10H2,1H3,(H2,19,20,21,22,24)
InChIKeyJOMLZZNHJSQWRK-UHFFFAOYSA-N
XLogP2.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-5-cyclopropyl-N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
CID 126773395
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75501229
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 126767956
N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
CID 35532539
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide
CID 126770273
2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63975698
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167862830
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63974862
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62746115

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide (CID 146081811) is N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide?
The InChIKey is JOMLZZNHJSQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-2-8-23-13(6-7-18-23)15(24)20-16-19-14(21-22-16)10-11-4-3-5-12(17)9-11/h3-7,9H,2,8,10H2,1H3,(H2,19,20,21,22,24).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 146081811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).