4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

C15H25N3O — CID 47148585

IUPAC4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C15H25N3O/c1-10-9-13(18-17-10)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h9,11-12H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyKQDNTNWYDQJRQX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds2

About 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 47148585) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID47148585
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C15H25N3O/c1-10-9-13(18-17-10)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h9,11-12H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyKQDNTNWYDQJRQX-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (CID 47148585) is 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)n[nH]1.
What is the InChIKey of 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is KQDNTNWYDQJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10-9-13(18-17-10)16-14(19)11-5-7-12(8-6-11)15(2,3)4/h9,11-12H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47148585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).