N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide

C18H25N5O — CID 126822230

IUPACN-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H25N5O/c1-2-3-8-20-18(24)23-11-6-15(7-12-23)17-13-16(21-22-17)14-4-9-19-10-5-14/h4-5,9-10,13,15H,2-3,6-8,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyMKOBRJPJZUEYCU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.16
Rot. Bonds5

About N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide

N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 126822230) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID126822230
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H25N5O/c1-2-3-8-20-18(24)23-11-6-15(7-12-23)17-13-16(21-22-17)14-4-9-19-10-5-14/h4-5,9-10,13,15H,2-3,6-8,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyMKOBRJPJZUEYCU-UHFFFAOYSA-N
XLogP3.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.16
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

N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126830172
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 53185327
2,3,3-trimethyl-1-[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 122153584
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 127165661
2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71819748
N-butylaziridine-1-carboxamide
CID 55206947
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 126836431
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97275108
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 126822230) is N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide is CCCCNC(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is MKOBRJPJZUEYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-3-8-20-18(24)23-11-6-15(7-12-23)17-13-16(21-22-17)14-4-9-19-10-5-14/h4-5,9-10,13,15H,2-3,6-8,11-12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126822230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).