1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

C22H32N4O — CID 124844447

IUPAC1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)c1C
InChIInChI=1S/C22H32N4O/c1-5-17(3)26-18(4)21(14-23-26)22(27)24-20-9-11-25(12-10-20)15-19-8-6-7-16(2)13-19/h6-8,13-14,17,20H,5,9-12,15H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyGIFIPSYELVEVEN-QGZVFWFLSA-N
MW368.53 g/mol
LogP3.87
Rot. Bonds6

About 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 124844447) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID124844447
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)c1C
InChIInChI=1S/C22H32N4O/c1-5-17(3)26-18(4)21(14-23-26)22(27)24-20-9-11-25(12-10-20)15-19-8-6-7-16(2)13-19/h6-8,13-14,17,20H,5,9-12,15H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyGIFIPSYELVEVEN-QGZVFWFLSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide
CID 124841530
1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 124732224
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
1-(4-methylphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55735271
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55845430

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 124844447) is 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is CC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)c1C.
What is the InChIKey of 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is GIFIPSYELVEVEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-17(3)26-18(4)21(14-23-26)22(27)24-20-9-11-25(12-10-20)15-19-8-6-7-16(2)13-19/h6-8,13-14,17,20H,5,9-12,15H2,1-4H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 124844447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).