N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

C23H26N4O — CID 55840415

IUPACN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cn[nH]c3-c3ccccc3)cc2)C1
InChIInChI=1S/C23H26N4O/c1-17-6-5-13-27(15-17)16-18-9-11-20(12-10-18)25-23(28)21-14-24-26-22(21)19-7-3-2-4-8-19/h2-4,7-12,14,17H,5-6,13,15-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyHYNFODFCISYYGX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.56
Rot. Bonds5

About N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 55840415) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID55840415
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3cn[nH]c3-c3ccccc3)cc2)C1
InChIInChI=1S/C23H26N4O/c1-17-6-5-13-27(15-17)16-18-9-11-20(12-10-18)25-23(28)21-14-24-26-22(21)19-7-3-2-4-8-19/h2-4,7-12,14,17H,5-6,13,15-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyHYNFODFCISYYGX-UHFFFAOYSA-N
XLogP4.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55842498
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55858175
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743332
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56552323
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide;dihydrochloride
CID 119845000
1-benzyl-3-methylpiperidine
CID 2794856
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55798569
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 55840415) is N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is CC1CCCN(Cc2ccc(NC(=O)c3cn[nH]c3-c3ccccc3)cc2)C1.
What is the InChIKey of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is HYNFODFCISYYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-6-5-13-27(15-17)16-18-9-11-20(12-10-18)25-23(28)21-14-24-26-22(21)19-7-3-2-4-8-19/h2-4,7-12,14,17H,5-6,13,15-16H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55840415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).