N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C14H25ClN4O — CID 170994996

IUPACN,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnn(CC2CCNCC2)c1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-3-17(4-2)14(19)13-9-16-18(11-13)10-12-5-7-15-8-6-12;/h9,11-12,15H,3-8,10H2,1-2H3;1H
InChIKeyFYEOWIFIJIUXKI-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.79
Rot. Bonds5

About N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride

N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 170994996) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID170994996
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC NameN,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnn(CC2CCNCC2)c1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-3-17(4-2)14(19)13-9-16-18(11-13)10-12-5-7-15-8-6-12;/h9,11-12,15H,3-8,10H2,1-2H3;1H
InChIKeyFYEOWIFIJIUXKI-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 170994982
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
1-[[1-[2-(dimethylamino)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826382
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129342980
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
2-chloro-1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanone
CID 122240834

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 170994996) is N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride is CCN(CC)C(=O)c1cnn(CC2CCNCC2)c1.Cl.
What is the InChIKey of N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is FYEOWIFIJIUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-3-17(4-2)14(19)13-9-16-18(11-13)10-12-5-7-15-8-6-12;/h9,11-12,15H,3-8,10H2,1-2H3;1H.
What are the key properties of N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(piperidin-4-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 170994996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).