3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide

C12H18N4O2 — CID 77092336

IUPAC3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C12H18N4O2/c1-2-12(11(13)18)4-3-5-16(8-12)10(17)9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H2,13,18)(H,14,15)
InChIKeyHUJTXRVXAZYACY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.53
Rot. Bonds3

About 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide

3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 77092336) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID77092336
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C12H18N4O2/c1-2-12(11(13)18)4-3-5-16(8-12)10(17)9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H2,13,18)(H,14,15)
InChIKeyHUJTXRVXAZYACY-UHFFFAOYSA-N
XLogP0.53
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide (CID 77092336) is 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide is CCC1(C(N)=O)CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is HUJTXRVXAZYACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-12(11(13)18)4-3-5-16(8-12)10(17)9-6-14-15-7-9/h6-7H,2-5,8H2,1H3,(H2,13,18)(H,14,15).
What are the key properties of 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide?
3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 77092336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).