N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine

C15H19N3O — CID 116827337

IUPACN-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(C)cc(C)cc1-c1cc(NC2CC2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-9-6-10(2)15(19-3)12(7-9)13-8-14(18-17-13)16-11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyDXLRIWFTPIRFDQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.28
Rot. Bonds4

About N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine

N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 116827337) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine
PubChem CID116827337
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(C)cc(C)cc1-c1cc(NC2CC2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-9-6-10(2)15(19-3)12(7-9)13-8-14(18-17-13)16-11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyDXLRIWFTPIRFDQ-UHFFFAOYSA-N
XLogP3.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine (CID 116827337) is N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine is COc1c(C)cc(C)cc1-c1cc(NC2CC2)n[nH]1.
What is the InChIKey of N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is DXLRIWFTPIRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-6-10(2)15(19-3)12(7-9)13-8-14(18-17-13)16-11-4-5-11/h6-8,11H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine?
N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 116827337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).