5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride

C21H30ClN5O2 — CID 142717171

IUPAC5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2cn[nH]c2C)cnc1C1CCC(N2CCOCC2)CC1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-14-11-17(24-21(27)19-13-23-25-15(19)2)12-22-20(14)16-3-5-18(6-4-16)26-7-9-28-10-8-26;/h11-13,16,18H,3-10H2,1-2H3,(H,23,25)(H,24,27);1H
InChIKeyVTEGDSIEXFHHRW-UHFFFAOYSA-N
MW419.96 g/mol
LogP3.45
Rot. Bonds4

About 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride

5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 142717171) has the molecular formula C21H30ClN5O2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID142717171
Molecular FormulaC21H30ClN5O2
Molecular Weight419.96 g/mol
Exact Mass419.21
IUPAC Name5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2cn[nH]c2C)cnc1C1CCC(N2CCOCC2)CC1.Cl
InChIInChI=1S/C21H29N5O2.ClH/c1-14-11-17(24-21(27)19-13-23-25-15(19)2)12-22-20(14)16-3-5-18(6-4-16)26-7-9-28-10-8-26;/h11-13,16,18H,3-10H2,1-2H3,(H,23,25)(H,24,27);1H
InChIKeyVTEGDSIEXFHHRW-UHFFFAOYSA-N
XLogP3.45
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 142717172
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
N-(2-cyclopropyloxolan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113341333
5-methyl-N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 62192755
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
4-(5-methyl-1H-pyrazole-4-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103633
5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 71985880
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride (CID 142717171) is 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride is Cc1cc(NC(=O)c2cn[nH]c2C)cnc1C1CCC(N2CCOCC2)CC1.Cl.
What is the InChIKey of 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is VTEGDSIEXFHHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.ClH/c1-14-11-17(24-21(27)19-13-23-25-15(19)2)12-22-20(14)16-3-5-18(6-4-16)26-7-9-28-10-8-26;/h11-13,16,18H,3-10H2,1-2H3,(H,23,25)(H,24,27);1H.
What are the key properties of 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride?
5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 142717171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).