N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine

C13H17N3O — CID 43776698

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(C)c2)cc1C
InChIInChI=1S/C13H17N3O/c1-10-6-11(4-5-13(10)17-3)7-14-12-8-15-16(2)9-12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyPKILBEOTPDAAOB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.35
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine

N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43776698) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
PubChem CID43776698
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(C)c2)cc1C
InChIInChI=1S/C13H17N3O/c1-10-6-11(4-5-13(10)17-3)7-14-12-8-15-16(2)9-12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyPKILBEOTPDAAOB-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine (CID 43776698) is N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine is COc1ccc(CNc2cnn(C)c2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is PKILBEOTPDAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-6-11(4-5-13(10)17-3)7-14-12-8-15-16(2)9-12/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43776698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).