1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine

C13H17N3O — CID 130536838

IUPAC1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine
SMILESCn1ccc(NCCOCc2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-16-9-7-13(15-16)14-8-10-17-11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3,(H,14,15)
InChIKeyLCNVJORGBVLYIF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.05
Rot. Bonds6

About 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine

1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine (PubChem CID 130536838) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine
PubChem CID130536838
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine
SMILESCn1ccc(NCCOCc2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-16-9-7-13(15-16)14-8-10-17-11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3,(H,14,15)
InChIKeyLCNVJORGBVLYIF-UHFFFAOYSA-N
XLogP2.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
1-methyl-N-[2-(4-methylphenyl)ethyl]pyrazol-3-amine
CID 75517812
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
4-methyl-N-(2-phenylmethoxyethyl)-1,3-thiazol-2-amine
CID 131025758
(2R)-1-(benzenesulfonyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 97258678
(2S)-1-(benzenesulfonyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 97258677
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
CID 62392134
N-[2-[(4-chlorophenyl)methoxy]ethyl]pyridin-2-amine
CID 133390134
1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
CID 54054142
5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
CID 137335657
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine (CID 130536838) is 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine is Cn1ccc(NCCOCc2ccccc2)n1.
What is the InChIKey of 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine?
The InChIKey is LCNVJORGBVLYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-9-7-13(15-16)14-8-10-17-11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3,(H,14,15).
What are the key properties of 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine?
1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine is sourced from PubChem (CID 130536838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).