5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide

C7H11N3O2 — CID 112513801

IUPAC5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H11N3O2/c1-2-3-8-7(12)5-4-6(11)10-9-5/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11)
InChIKeyZYMQNZLXOFSNSQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.16
Rot. Bonds3

About 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide

5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513801) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513801
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H11N3O2/c1-2-3-8-7(12)5-4-6(11)10-9-5/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11)
InChIKeyZYMQNZLXOFSNSQ-UHFFFAOYSA-N
XLogP-0.16
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide (CID 112513801) is 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide is CCCNC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is ZYMQNZLXOFSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-8-7(12)5-4-6(11)10-9-5/h4H,2-3H2,1H3,(H,8,12)(H2,9,10,11).
What are the key properties of 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide?
5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).