(3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide

C23H35N3O — CID 7499427

IUPAC(3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C[C@H](C)CC(C)(C)C)cc1
InChIInChI=1S/C23H35N3O/c1-16-9-11-18(12-10-16)26-20(14-19(25-26)23(6,7)8)24-21(27)13-17(2)15-22(3,4)5/h9-12,14,17H,13,15H2,1-8H3,(H,24,27)/t17-/m0/s1
InChIKeyLMTGFUYIHNLMHB-KRWDZBQOSA-N
MW369.55 g/mol
LogP5.88
Rot. Bonds5

About (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide

(3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide (PubChem CID 7499427) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound Name(3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide
PubChem CID7499427
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name(3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C[C@H](C)CC(C)(C)C)cc1
InChIInChI=1S/C23H35N3O/c1-16-9-11-18(12-10-16)26-20(14-19(25-26)23(6,7)8)24-21(27)13-17(2)15-22(3,4)5/h9-12,14,17H,13,15H2,1-8H3,(H,24,27)/t17-/m0/s1
InChIKeyLMTGFUYIHNLMHB-KRWDZBQOSA-N
XLogP5.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide
CID 7271313
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 67091317
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2-chloroacetyl)-propan-2-ylamino]acetamide
CID 1052193
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-methylpent-2-en-3-yl)urea
CID 91309352
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 67091124
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 42733287
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3634793
N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloropropanamide
CID 3972116

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide?
The IUPAC name of (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide (CID 7499427) is (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide?
The canonical SMILES for (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C[C@H](C)CC(C)(C)C)cc1.
What is the InChIKey of (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide?
The InChIKey is LMTGFUYIHNLMHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H35N3O/c1-16-9-11-18(12-10-16)26-20(14-19(25-26)23(6,7)8)24-21(27)13-17(2)15-22(3,4)5/h9-12,14,17H,13,15H2,1-8H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide?
(3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide has a molecular weight of 369.55 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 7499427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).