3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C9H13N7O — CID 60912135

IUPAC3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCn1cccn1)c1nn[nH]n1
InChIInChI=1S/C9H13N7O/c1-7(9-12-14-15-13-9)11-8(17)3-6-16-5-2-4-10-16/h2,4-5,7H,3,6H2,1H3,(H,11,17)(H,12,13,14,15)
InChIKeyNJAFDGVZCZHVDW-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.34
Rot. Bonds5

About 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 60912135) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID60912135
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCn1cccn1)c1nn[nH]n1
InChIInChI=1S/C9H13N7O/c1-7(9-12-14-15-13-9)11-8(17)3-6-16-5-2-4-10-16/h2,4-5,7H,3,6H2,1H3,(H,11,17)(H,12,13,14,15)
InChIKeyNJAFDGVZCZHVDW-UHFFFAOYSA-N
XLogP-0.34
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 131951204
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380788
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide
CID 81270154
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 60912135) is 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(NC(=O)CCn1cccn1)c1nn[nH]n1.
What is the InChIKey of 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is NJAFDGVZCZHVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-7(9-12-14-15-13-9)11-8(17)3-6-16-5-2-4-10-16/h2,4-5,7H,3,6H2,1H3,(H,11,17)(H,12,13,14,15).
What are the key properties of 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 235.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 60912135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).