3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

C22H25N3O2 — CID 71822328

IUPAC3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCOc1ccccc1-c1cc(C(=O)NC(C)c2ccccc2)[nH]n1
InChIInChI=1S/C22H25N3O2/c1-3-4-14-27-21-13-9-8-12-18(21)19-15-20(25-24-19)22(26)23-16(2)17-10-6-5-7-11-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQNFLWHYIFQGQEX-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.75
Rot. Bonds8

About 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 71822328) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
PubChem CID71822328
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCOc1ccccc1-c1cc(C(=O)NC(C)c2ccccc2)[nH]n1
InChIInChI=1S/C22H25N3O2/c1-3-4-14-27-21-13-9-8-12-18(21)19-15-20(25-24-19)22(26)23-16(2)17-10-6-5-7-11-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQNFLWHYIFQGQEX-UHFFFAOYSA-N
XLogP4.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
3-(2-butoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135641959
2-[[3-(2-ethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanediamide
CID 56796065
[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71822697
3-(2-butoxyphenyl)-N-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-5-carboxamide
CID 71822324
3-(2-butoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6888513
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-butoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71822343
3-(2-butoxyphenyl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136906005
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6267995
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (CID 71822328) is 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is CCCCOc1ccccc1-c1cc(C(=O)NC(C)c2ccccc2)[nH]n1.
What is the InChIKey of 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QNFLWHYIFQGQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-4-14-27-21-13-9-8-12-18(21)19-15-20(25-24-19)22(26)23-16(2)17-10-6-5-7-11-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyphenyl)-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71822328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).