N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine

C14H25N3 — CID 64761922

IUPACN-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC1CCC(C)C(Nc2cnn(C(C)C)c2)C1
InChIInChI=1S/C14H25N3/c1-10(2)17-9-13(8-15-17)16-14-7-11(3)5-6-12(14)4/h8-12,14,16H,5-7H2,1-4H3
InChIKeyDPAHSBFFBLOWOA-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.70
Rot. Bonds3

About N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine

N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 64761922) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID64761922
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC1CCC(C)C(Nc2cnn(C(C)C)c2)C1
InChIInChI=1S/C14H25N3/c1-10(2)17-9-13(8-15-17)16-14-7-11(3)5-6-12(14)4/h8-12,14,16H,5-7H2,1-4H3
InChIKeyDPAHSBFFBLOWOA-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine (CID 64761922) is N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine is CC1CCC(C)C(Nc2cnn(C(C)C)c2)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is DPAHSBFFBLOWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)17-9-13(8-15-17)16-14-7-11(3)5-6-12(14)4/h8-12,14,16H,5-7H2,1-4H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine?
N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 235.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 64761922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).