1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide

C13H22N4O — CID 119556637

IUPAC1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCC2CCCNC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-17-10-12(9-16-17)13(18)15-7-5-11-4-3-6-14-8-11/h9-11,14H,2-8H2,1H3,(H,15,18)
InChIKeyDTVWXXDVTDWRGN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.02
Rot. Bonds5

About 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide

1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 119556637) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID119556637
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCC2CCCNC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-17-10-12(9-16-17)13(18)15-7-5-11-4-3-6-14-8-11/h9-11,14H,2-8H2,1H3,(H,15,18)
InChIKeyDTVWXXDVTDWRGN-UHFFFAOYSA-N
XLogP1.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylbutan-2-one
CID 116562397
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119557093
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63628711

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide (CID 119556637) is 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)NCCC2CCCNC2)cn1.
What is the InChIKey of 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is DTVWXXDVTDWRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17-10-12(9-16-17)13(18)15-7-5-11-4-3-6-14-8-11/h9-11,14H,2-8H2,1H3,(H,15,18).
What are the key properties of 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide?
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119556637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).