N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide

C12H20N4O — CID 170994982

IUPACN-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C12H20N4O/c1-2-14-12(17)11-7-15-16(9-11)8-10-3-5-13-6-4-10/h7,9-10,13H,2-6,8H2,1H3,(H,14,17)
InChIKeyZEGOIEKPCIQKGJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.63
Rot. Bonds4

About N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide

N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 170994982) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID170994982
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C12H20N4O/c1-2-14-12(17)11-7-15-16(9-11)8-10-3-5-13-6-4-10/h7,9-10,13H,2-6,8H2,1H3,(H,14,17)
InChIKeyZEGOIEKPCIQKGJ-UHFFFAOYSA-N
XLogP0.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 170994996
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
2-chloro-1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanone
CID 122240834
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 142458257
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide (CID 170994982) is N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide is CCNC(=O)c1cnn(CC2CCNCC2)c1.
What is the InChIKey of N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZEGOIEKPCIQKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-14-12(17)11-7-15-16(9-11)8-10-3-5-13-6-4-10/h7,9-10,13H,2-6,8H2,1H3,(H,14,17).
What are the key properties of N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide?
N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 170994982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).