5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide

C19H33N5O — CID 86798225

IUPAC5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCCN1CCN(C(C)CNC(=O)c2cn[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O/c1-3-23-9-11-24(12-10-23)15(2)13-20-19(25)17-14-21-22-18(17)16-7-5-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyOGFIGJCTSPEBPX-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.21
Rot. Bonds6

About 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 86798225) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
PubChem CID86798225
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCCN1CCN(C(C)CNC(=O)c2cn[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O/c1-3-23-9-11-24(12-10-23)15(2)13-20-19(25)17-14-21-22-18(17)16-7-5-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyOGFIGJCTSPEBPX-UHFFFAOYSA-N
XLogP2.21
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129323946
N-(2-methoxyethyl)-5-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129323945
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 97454957
5-cyclohexyl-N-[(2R)-2-hydroxy-3-phenoxypropyl]-1H-pyrazole-4-carboxamide
CID 97155422
5-cyclohexyl-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 131914240
(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide
CID 99858308
N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 167819842
5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 70770435
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 95312612
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 63372842
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 99836681

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide (CID 86798225) is 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide is CCN1CCN(C(C)CNC(=O)c2cn[nH]c2C2CCCCC2)CC1.
What is the InChIKey of 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OGFIGJCTSPEBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-3-23-9-11-24(12-10-23)15(2)13-20-19(25)17-14-21-22-18(17)16-7-5-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86798225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).