5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide

C14H24N4O — CID 142992702

IUPAC5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)9-4-6-10(7-5-9)17-13(19)11-8-16-18-12(11)15/h8-10H,4-7H2,1-3H3,(H,17,19)(H3,15,16,18)
InChIKeyHXSQMJIHLVUKAQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.33
Rot. Bonds2

About 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide

5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 142992702) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide
PubChem CID142992702
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)9-4-6-10(7-5-9)17-13(19)11-8-16-18-12(11)15/h8-10H,4-7H2,1-3H3,(H,17,19)(H3,15,16,18)
InChIKeyHXSQMJIHLVUKAQ-UHFFFAOYSA-N
XLogP2.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide (CID 142992702) is 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide is CC(C)(C)C1CCC(NC(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HXSQMJIHLVUKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)9-4-6-10(7-5-9)17-13(19)11-8-16-18-12(11)15/h8-10H,4-7H2,1-3H3,(H,17,19)(H3,15,16,18).
What are the key properties of 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-tert-butylcyclohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 142992702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).