N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide

C14H24N4O — CID 107174959

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCCC2(C)C)c1N
InChIInChI=1S/C14H24N4O/c1-9-11(15)12(18(4)17-9)16-13(19)10-7-5-6-8-14(10,2)3/h10H,5-8,15H2,1-4H3,(H,16,19)
InChIKeyRPODWOBQWDCCSI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.47
Rot. Bonds2

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107174959) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107174959
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCCC2(C)C)c1N
InChIInChI=1S/C14H24N4O/c1-9-11(15)12(18(4)17-9)16-13(19)10-7-5-6-8-14(10,2)3/h10H,5-8,15H2,1-4H3,(H,16,19)
InChIKeyRPODWOBQWDCCSI-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107174959) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide is Cc1nn(C)c(NC(=O)C2CCCCC2(C)C)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is RPODWOBQWDCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-11(15)12(18(4)17-9)16-13(19)10-7-5-6-8-14(10,2)3/h10H,5-8,15H2,1-4H3,(H,16,19).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107174959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).