1-[4-(methoxymethyl)phenyl]pyrazol-4-amine

C11H13N3O — CID 117275949

IUPAC1-[4-(methoxymethyl)phenyl]pyrazol-4-amine
SMILESCOCc1ccc(-n2cc(N)cn2)cc1
InChIInChI=1S/C11H13N3O/c1-15-8-9-2-4-11(5-3-9)14-7-10(12)6-13-14/h2-7H,8,12H2,1H3
InChIKeyKYDMNZHNJVMTCG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.60
Rot. Bonds3

About 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine

1-[4-(methoxymethyl)phenyl]pyrazol-4-amine (PubChem CID 117275949) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]pyrazol-4-amine
PubChem CID117275949
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-[4-(methoxymethyl)phenyl]pyrazol-4-amine
SMILESCOCc1ccc(-n2cc(N)cn2)cc1
InChIInChI=1S/C11H13N3O/c1-15-8-9-2-4-11(5-3-9)14-7-10(12)6-13-14/h2-7H,8,12H2,1H3
InChIKeyKYDMNZHNJVMTCG-UHFFFAOYSA-N
XLogP1.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-3-pyridinyl)pyrazol-4-amine
CID 126665347
ethyl 4-[4-(4-aminopyrazol-1-yl)pyrazol-1-yl]benzoate
CID 17383699
1-(1-methylpyrazol-4-yl)pyrazol-4-amine;dihydrochloride
CID 163336294
2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171
1-(5-methoxy-2-pyridinyl)pyrazol-4-amine
CID 106504699
4-(4-methoxypyrazol-1-yl)phenol
CID 88996321
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164607189
4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole
CID 177250502
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
4-methoxy-1-(4-methylphenyl)pyrazole
CID 117229729
4-(4-ethoxypyrazol-1-yl)phenol
CID 117229696

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine (CID 117275949) is 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine is COCc1ccc(-n2cc(N)cn2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine?
The InChIKey is KYDMNZHNJVMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-8-9-2-4-11(5-3-9)14-7-10(12)6-13-14/h2-7H,8,12H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine?
1-[4-(methoxymethyl)phenyl]pyrazol-4-amine has a molecular weight of 203.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 117275949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).