(1-methylpyrazol-3-yl)-phenylmethanamine

C11H13N3 — CID 65200403

IUPAC(1-methylpyrazol-3-yl)-phenylmethanamine
SMILESCn1ccc(C(N)c2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-14-8-7-10(13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3
InChIKeyREKMCNGNTNJKPA-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.47
Rot. Bonds2

About (1-methylpyrazol-3-yl)-phenylmethanamine

(1-methylpyrazol-3-yl)-phenylmethanamine (PubChem CID 65200403) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-phenylmethanamine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-phenylmethanamine
PubChem CID65200403
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(1-methylpyrazol-3-yl)-phenylmethanamine
SMILESCn1ccc(C(N)c2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-14-8-7-10(13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3
InChIKeyREKMCNGNTNJKPA-UHFFFAOYSA-N
XLogP1.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
CID 65200725
(5-methylfuran-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134923
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103131308
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103131205
(1-methylpyrazol-3-yl)-(1-phenylcyclopentyl)methanamine
CID 103130824
2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131003
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135482

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-phenylmethanamine?
The IUPAC name of (1-methylpyrazol-3-yl)-phenylmethanamine (CID 65200403) is (1-methylpyrazol-3-yl)-phenylmethanamine.
What is the SMILES notation for (1-methylpyrazol-3-yl)-phenylmethanamine?
The canonical SMILES for (1-methylpyrazol-3-yl)-phenylmethanamine is Cn1ccc(C(N)c2ccccc2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-phenylmethanamine?
The InChIKey is REKMCNGNTNJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-8-7-10(13-14)11(12)9-5-3-2-4-6-9/h2-8,11H,12H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-phenylmethanamine?
(1-methylpyrazol-3-yl)-phenylmethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-phenylmethanamine is sourced from PubChem (CID 65200403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).