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

C10H15N3O2 — CID 112513809

IUPACN-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H15N3O2/c14-9-6-8(12-13-9)10(15)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,15)(H2,12,13,14)
InChIKeyLXCBOVMODWHDOG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds2

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

N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513809) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513809
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H15N3O2/c14-9-6-8(12-13-9)10(15)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,15)(H2,12,13,14)
InChIKeyLXCBOVMODWHDOG-UHFFFAOYSA-N
XLogP0.77
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 112513809) is N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is O=C(NC1CCCCC1)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is LXCBOVMODWHDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-6-8(12-13-9)10(15)11-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,15)(H2,12,13,14).
What are the key properties of N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).