N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide

C12H20N4O — CID 43582856

IUPACN-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cn[nH]c1
InChIInChI=1S/C12H20N4O/c17-12(11-9-14-15-10-11)13-5-4-8-16-6-2-1-3-7-16/h9-10H,1-8H2,(H,13,17)(H,14,15)
InChIKeyUSYMZLKKEDANCT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.02
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide

N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582856) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID43582856
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cn[nH]c1
InChIInChI=1S/C12H20N4O/c17-12(11-9-14-15-10-11)13-5-4-8-16-6-2-1-3-7-16/h9-10H,1-8H2,(H,13,17)(H,14,15)
InChIKeyUSYMZLKKEDANCT-UHFFFAOYSA-N
XLogP1.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.02
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-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
N-methyl-4-[1-(1H-pyrazol-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 91921353
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47220435
N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
1-(1H-pyrazol-4-ylcarbonyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77078732
4-(2-methoxyethoxy)-1-(1H-pyrazol-4-ylcarbonyl)piperidine
CID 77080633
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide (CID 43582856) is N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide is O=C(NCCCN1CCCCC1)c1cn[nH]c1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is USYMZLKKEDANCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(11-9-14-15-10-11)13-5-4-8-16-6-2-1-3-7-16/h9-10H,1-8H2,(H,13,17)(H,14,15).
What are the key properties of N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).