4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

C17H29N3O — CID 30663515

IUPAC4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-11-15(12(2)20(6)19-11)18-16(21)13-7-9-14(10-8-13)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,21)
InChIKeyQRYAIPGBVDKJAL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds2

About 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (PubChem CID 30663515) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
PubChem CID30663515
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-11-15(12(2)20(6)19-11)18-16(21)13-7-9-14(10-8-13)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,21)
InChIKeyQRYAIPGBVDKJAL-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 61254029
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575849
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide
CID 61215930
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
(2R,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944490
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390455
4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 140516048
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propane-1,3-dione
CID 63319605

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide (CID 30663515) is 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is Cc1nn(C)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
The InChIKey is QRYAIPGBVDKJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11-15(12(2)20(6)19-11)18-16(21)13-7-9-14(10-8-13)17(3,4)5/h13-14H,7-10H2,1-6H3,(H,18,21).
What are the key properties of 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 30663515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).