N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide

C17H29N3O — CID 130233520

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)17(16(3,4)5)8-6-14(7-9-17)20-15(21)13-10-18-19-11-13/h10-12,14H,6-9H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyHRVRXRGUWWSKJF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.77
Rot. Bonds3

About N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 130233520) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
PubChem CID130233520
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)C1(C(C)(C)C)CCC(NC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)17(16(3,4)5)8-6-14(7-9-17)20-15(21)13-10-18-19-11-13/h10-12,14H,6-9H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyHRVRXRGUWWSKJF-UHFFFAOYSA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide (CID 130233520) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide is CC(C)C1(C(C)(C)C)CCC(NC(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HRVRXRGUWWSKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)17(16(3,4)5)8-6-14(7-9-17)20-15(21)13-10-18-19-11-13/h10-12,14H,6-9H2,1-5H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 130233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).