1-(phenylmethoxymethyl)pyrazol-3-amine

C11H13N3O — CID 12572474

IUPAC1-(phenylmethoxymethyl)pyrazol-3-amine
SMILESNc1ccn(COCc2ccccc2)n1
InChIInChI=1S/C11H13N3O/c12-11-6-7-14(13-11)9-15-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,12,13)
InChIKeySQXRZRUEDBWTLN-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.64
Rot. Bonds4

About 1-(phenylmethoxymethyl)pyrazol-3-amine

1-(phenylmethoxymethyl)pyrazol-3-amine (PubChem CID 12572474) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)pyrazol-3-amine
PubChem CID12572474
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(phenylmethoxymethyl)pyrazol-3-amine
SMILESNc1ccn(COCc2ccccc2)n1
InChIInChI=1S/C11H13N3O/c12-11-6-7-14(13-11)9-15-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,12,13)
InChIKeySQXRZRUEDBWTLN-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11857377
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CID 91244891
CID 91244891
CID 57128071
CID 57128071
CID 66928345
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CID 66928543
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CID 66929056
CID 66929056
CID 134462808
CID 134462808
CID 134462835
CID 134462835
CID 135138188
CID 135138188

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)pyrazol-3-amine?
The IUPAC name of 1-(phenylmethoxymethyl)pyrazol-3-amine (CID 12572474) is 1-(phenylmethoxymethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(phenylmethoxymethyl)pyrazol-3-amine?
The canonical SMILES for 1-(phenylmethoxymethyl)pyrazol-3-amine is Nc1ccn(COCc2ccccc2)n1.
What is the InChIKey of 1-(phenylmethoxymethyl)pyrazol-3-amine?
The InChIKey is SQXRZRUEDBWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-11-6-7-14(13-11)9-15-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,12,13).
What are the key properties of 1-(phenylmethoxymethyl)pyrazol-3-amine?
1-(phenylmethoxymethyl)pyrazol-3-amine has a molecular weight of 203.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)pyrazol-3-amine is sourced from PubChem (CID 12572474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).