3-(1H-pyrazol-4-yl)propanamide

C6H9N3O — CID 22405803

IUPAC3-(1H-pyrazol-4-yl)propanamide
SMILESNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C6H9N3O/c7-6(10)2-1-5-3-8-9-4-5/h3-4H,1-2H2,(H2,7,10)(H,8,9)
InChIKeyPLDHGRBIURVNDZ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.17
Rot. Bonds3

About 3-(1H-pyrazol-4-yl)propanamide

3-(1H-pyrazol-4-yl)propanamide (PubChem CID 22405803) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)propanamide
PubChem CID22405803
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-(1H-pyrazol-4-yl)propanamide
SMILESNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C6H9N3O/c7-6(10)2-1-5-3-8-9-4-5/h3-4H,1-2H2,(H2,7,10)(H,8,9)
InChIKeyPLDHGRBIURVNDZ-UHFFFAOYSA-N
XLogP-0.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrazol-4-yl)acetamide
CID 22405808
2-oxo-4-(1H-pyrazol-4-yl)butanoic acid
CID 82413459
3-pyrimidin-5-ylpropanamide
CID 91363418
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
2-(1H-pyrazol-4-yl)ethanethiol
CID 130569311
1H-pyrazol-4-ylmethanol
CID 3015210
1-amino-2-[2-(1H-pyrazol-4-yl)ethyl]guanidine
CID 131091796
ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
2-oxo-3-(1H-pyrazol-4-yl)propanoic acid
CID 139891823
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125446001

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)propanamide (CID 22405803) is 3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)propanamide is NC(=O)CCc1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is PLDHGRBIURVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(10)2-1-5-3-8-9-4-5/h3-4H,1-2H2,(H2,7,10)(H,8,9).
What are the key properties of 3-(1H-pyrazol-4-yl)propanamide?
3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 139.16 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 22405803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).