1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C21H26N6O — CID 24817625

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCc1c(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cnn1C
InChIInChI=1S/C21H26N6O/c1-16-18(13-23-25(16)2)15-26-10-4-6-17(14-26)21(28)24-19-7-3-8-20(12-19)27-11-5-9-22-27/h3,5,7-9,11-13,17H,4,6,10,14-15H2,1-2H3,(H,24,28)
InChIKeyVRGUPTPSKZYNPY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.76
Rot. Bonds5

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24817625) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24817625
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCc1c(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cnn1C
InChIInChI=1S/C21H26N6O/c1-16-18(13-23-25(16)2)15-26-10-4-6-17(14-26)21(28)24-19-7-3-8-20(12-19)27-11-5-9-22-27/h3,5,7-9,11-13,17H,4,6,10,14-15H2,1-2H3,(H,24,28)
InChIKeyVRGUPTPSKZYNPY-UHFFFAOYSA-N
XLogP2.76
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45226311
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
1-[(3-methylsulfanylphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24793047
1-(1,2-oxazol-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45193960
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45229650
ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26324219
ethyl 4-[3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45230119
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
CID 110247020
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24817625) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is Cc1c(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is VRGUPTPSKZYNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16-18(13-23-25(16)2)15-26-10-4-6-17(14-26)21(28)24-19-7-3-8-20(12-19)27-11-5-9-22-27/h3,5,7-9,11-13,17H,4,6,10,14-15H2,1-2H3,(H,24,28).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24817625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).