1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine

C14H25N3 — CID 75391259

IUPAC1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine
SMILESCCCC1CCC(CNc2cnn(C)c2)CC1
InChIInChI=1S/C14H25N3/c1-3-4-12-5-7-13(8-6-12)9-15-14-10-16-17(2)11-14/h10-13,15H,3-9H2,1-2H3
InChIKeyQOAINNUYIHGGQE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.44
Rot. Bonds5

About 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine

1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine (PubChem CID 75391259) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine
PubChem CID75391259
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine
SMILESCCCC1CCC(CNc2cnn(C)c2)CC1
InChIInChI=1S/C14H25N3/c1-3-4-12-5-7-13(8-6-12)9-15-14-10-16-17(2)11-14/h10-13,15H,3-9H2,1-2H3
InChIKeyQOAINNUYIHGGQE-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine (CID 75391259) is 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine is CCCC1CCC(CNc2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine?
The InChIKey is QOAINNUYIHGGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-4-12-5-7-13(8-6-12)9-15-14-10-16-17(2)11-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine?
1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75391259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).