1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide

C24H34N4O2 — CID 29230028

IUPAC1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C24H34N4O2/c1-19-22(20(2)28(26-19)17-21-9-5-3-6-10-21)23(29)25-18-24(11-7-4-8-12-24)27-13-15-30-16-14-27/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3,(H,25,29)
InChIKeyBTPJKJCHGBXDPV-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.31
Rot. Bonds6

About 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide (PubChem CID 29230028) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
PubChem CID29230028
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C24H34N4O2/c1-19-22(20(2)28(26-19)17-21-9-5-3-6-10-21)23(29)25-18-24(11-7-4-8-12-24)27-13-15-30-16-14-27/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3,(H,25,29)
InChIKeyBTPJKJCHGBXDPV-UHFFFAOYSA-N
XLogP3.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide (CID 29230028) is 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide?
The InChIKey is BTPJKJCHGBXDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-22(20(2)28(26-19)17-21-9-5-3-6-10-21)23(29)25-18-24(11-7-4-8-12-24)27-13-15-30-16-14-27/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 29230028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).