(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide

C24H36N4O — CID 125011836

IUPAC(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1)c1ccccc1
InChIInChI=1S/C24H36N4O/c1-18(20-9-7-6-8-10-20)24(29)27(4)16-19-11-13-21(14-12-19)23-15-22(17-26(2)3)28(5)25-23/h6-10,15,18-19,21H,11-14,16-17H2,1-5H3/t18-,19?,21?/m1/s1
InChIKeyVTIPMLNRLKSFAN-LWEYNCJUSA-N
MW396.58 g/mol
LogP4.02
Rot. Bonds7

About (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide

(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide (PubChem CID 125011836) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide
PubChem CID125011836
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide
SMILESC[C@@H](C(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1)c1ccccc1
InChIInChI=1S/C24H36N4O/c1-18(20-9-7-6-8-10-20)24(29)27(4)16-19-11-13-21(14-12-19)23-15-22(17-26(2)3)28(5)25-23/h6-10,15,18-19,21H,11-14,16-17H2,1-5H3/t18-,19?,21?/m1/s1
InChIKeyVTIPMLNRLKSFAN-LWEYNCJUSA-N
XLogP4.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide?
The IUPAC name of (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide (CID 125011836) is (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide is C[C@@H](C(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide?
The InChIKey is VTIPMLNRLKSFAN-LWEYNCJUSA-N. The full InChI is InChI=1S/C24H36N4O/c1-18(20-9-7-6-8-10-20)24(29)27(4)16-19-11-13-21(14-12-19)23-15-22(17-26(2)3)28(5)25-23/h6-10,15,18-19,21H,11-14,16-17H2,1-5H3/t18-,19?,21?/m1/s1.
What are the key properties of (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide?
(2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide has a molecular weight of 396.58 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 125011836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).