3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide

C12H20N4O — CID 103977172

IUPAC3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCn1cccn1)C1CCNC1
InChIInChI=1S/C12H20N4O/c1-10(11-3-6-13-9-11)15-12(17)4-8-16-7-2-5-14-16/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,15,17)
InChIKeyZXZCOXRXDCGQOS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.39
Rot. Bonds5

About 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide

3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide (PubChem CID 103977172) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide
PubChem CID103977172
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCn1cccn1)C1CCNC1
InChIInChI=1S/C12H20N4O/c1-10(11-3-6-13-9-11)15-12(17)4-8-16-7-2-5-14-16/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,15,17)
InChIKeyZXZCOXRXDCGQOS-UHFFFAOYSA-N
XLogP0.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
4-methyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 43523174
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-(piperidin-3-ylmethyl)-N-propan-2-yl-3-pyrazol-1-ylpropanamide
CID 106629180

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide?
The IUPAC name of 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide (CID 103977172) is 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide?
The canonical SMILES for 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide is CC(NC(=O)CCn1cccn1)C1CCNC1.
What is the InChIKey of 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide?
The InChIKey is ZXZCOXRXDCGQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(11-3-6-13-9-11)15-12(17)4-8-16-7-2-5-14-16/h2,5,7,10-11,13H,3-4,6,8-9H2,1H3,(H,15,17).
What are the key properties of 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide?
3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide is sourced from PubChem (CID 103977172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).