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

C11H18N4O — CID 43582850

IUPACN-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c16-11(10-8-13-14-9-10)12-4-3-7-15-5-1-2-6-15/h8-9H,1-7H2,(H,12,16)(H,13,14)
InChIKeyMLCSOFDMBQJODI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.63
Rot. Bonds5

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

N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582850) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID43582850
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c16-11(10-8-13-14-9-10)12-4-3-7-15-5-1-2-6-15/h8-9H,1-7H2,(H,12,16)(H,13,14)
InChIKeyMLCSOFDMBQJODI-UHFFFAOYSA-N
XLogP0.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.63
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
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-1H-pyrazole-4-carboxamide
CID 91843924
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 164631489

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide (CID 43582850) is N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide is O=C(NCCCN1CCCC1)c1cn[nH]c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MLCSOFDMBQJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(10-8-13-14-9-10)12-4-3-7-15-5-1-2-6-15/h8-9H,1-7H2,(H,12,16)(H,13,14).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).