5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide

C21H18FN5O2 — CID 119060130

IUPAC5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-n2cc(CNC(=O)c3cn[nH]c3-c3ccccc3F)cn2)c1
InChIInChI=1S/C21H18FN5O2/c1-29-16-6-4-5-15(9-16)27-13-14(11-25-27)10-23-21(28)18-12-24-26-20(18)17-7-2-3-8-19(17)22/h2-9,11-13H,10H2,1H3,(H,23,28)(H,24,26)
InChIKeyZSLCFVMALHQBTI-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.34
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 119060130) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID119060130
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-n2cc(CNC(=O)c3cn[nH]c3-c3ccccc3F)cn2)c1
InChIInChI=1S/C21H18FN5O2/c1-29-16-6-4-5-15(9-16)27-13-14(11-25-27)10-23-21(28)18-12-24-26-20(18)17-7-2-3-8-19(17)22/h2-9,11-13H,10H2,1H3,(H,23,28)(H,24,26)
InChIKeyZSLCFVMALHQBTI-UHFFFAOYSA-N
XLogP3.34
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
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N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide (CID 119060130) is 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide is COc1cccc(-n2cc(CNC(=O)c3cn[nH]c3-c3ccccc3F)cn2)c1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZSLCFVMALHQBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-29-16-6-4-5-15(9-16)27-13-14(11-25-27)10-23-21(28)18-12-24-26-20(18)17-7-2-3-8-19(17)22/h2-9,11-13H,10H2,1H3,(H,23,28)(H,24,26).
What are the key properties of 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119060130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).