1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

C16H16FN5O — CID 19284975

IUPAC1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H16FN5O/c1-2-21-9-7-14(19-21)16(23)18-15-8-10-22(20-15)11-12-3-5-13(17)6-4-12/h3-10H,2,11H2,1H3,(H,18,20,23)
InChIKeyIXSBKRDRJIBHDZ-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.54
Rot. Bonds5

About 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19284975) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID19284975
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H16FN5O/c1-2-21-9-7-14(19-21)16(23)18-15-8-10-22(20-15)11-12-3-5-13(17)6-4-12/h3-10H,2,11H2,1H3,(H,18,20,23)
InChIKeyIXSBKRDRJIBHDZ-UHFFFAOYSA-N
XLogP2.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824981
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279852
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264469
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19285184
1-(1-ethylpyrazol-3-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17282048
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (CID 19284975) is 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is IXSBKRDRJIBHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-2-21-9-7-14(19-21)16(23)18-15-8-10-22(20-15)11-12-3-5-13(17)6-4-12/h3-10H,2,11H2,1H3,(H,18,20,23).
What are the key properties of 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19284975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).