1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride

C11H14ClN3O — CID 44630925

IUPAC1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCOc1cccc(Cn2cc(N)cn2)c1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-15-11-4-2-3-9(5-11)7-14-8-10(12)6-13-14;/h2-6,8H,7,12H2,1H3;1H
InChIKeyIKBCRMSYTRRPRS-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.94
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride

1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 44630925) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID44630925
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCOc1cccc(Cn2cc(N)cn2)c1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-15-11-4-2-3-9(5-11)7-14-8-10(12)6-13-14;/h2-6,8H,7,12H2,1H3;1H
InChIKeyIKBCRMSYTRRPRS-UHFFFAOYSA-N
XLogP1.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328526
3-[(4-methoxypyrazol-1-yl)methyl]aniline
CID 138319963
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
4-isothiocyanato-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19619379
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
(3aS,4R,7S,7aR)-2-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 51427389
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride (CID 44630925) is 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride is COc1cccc(Cn2cc(N)cn2)c1.Cl.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is IKBCRMSYTRRPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-15-11-4-2-3-9(5-11)7-14-8-10(12)6-13-14;/h2-6,8H,7,12H2,1H3;1H.
What are the key properties of 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride?
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 44630925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).