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

C11H16N4O2 — CID 60786141

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cn[nH]c1
InChIInChI=1S/C11H16N4O2/c16-10(15-5-1-2-6-15)3-4-12-11(17)9-7-13-14-8-9/h7-8H,1-6H2,(H,12,17)(H,13,14)
InChIKeyAKTHVLDPOVQYDX-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.15
Rot. Bonds4

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

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 60786141) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID60786141
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cn[nH]c1
InChIInChI=1S/C11H16N4O2/c16-10(15-5-1-2-6-15)3-4-12-11(17)9-7-13-14-8-9/h7-8H,1-6H2,(H,12,17)(H,13,14)
InChIKeyAKTHVLDPOVQYDX-UHFFFAOYSA-N
XLogP0.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-(1H-pyrazol-4-ylcarbonyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77078732
N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
CID 77092439
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

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide (CID 60786141) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide is O=C(NCCC(=O)N1CCCC1)c1cn[nH]c1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AKTHVLDPOVQYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(15-5-1-2-6-15)3-4-12-11(17)9-7-13-14-8-9/h7-8H,1-6H2,(H,12,17)(H,13,14).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60786141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).