(3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride

C11H15Cl2N3O — CID 167742382

IUPAC(3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride
SMILESCOc1cccc(CN)c1-n1cccn1.Cl.Cl
InChIInChI=1S/C11H13N3O.2ClH/c1-15-10-5-2-4-9(8-12)11(10)14-7-3-6-13-14;;/h2-7H,8,12H2,1H3;2*1H
InChIKeySJZSHHIZEJJPRT-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.18
Rot. Bonds3

About (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride

(3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride (PubChem CID 167742382) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride
PubChem CID167742382
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name(3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride
SMILESCOc1cccc(CN)c1-n1cccn1.Cl.Cl
InChIInChI=1S/C11H13N3O.2ClH/c1-15-10-5-2-4-9(8-12)11(10)14-7-3-6-13-14;;/h2-7H,8,12H2,1H3;2*1H
InChIKeySJZSHHIZEJJPRT-UHFFFAOYSA-N
XLogP2.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
1-(4-Methoxyphenyl)-1H-pyrazole
CID 12238131
1-(2-methoxyphenyl)-1H-pyrazol-4-ol
CID 117124800
1-(2,2-difluoroethyl)-N-(3-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247615
2-[5-methoxy-2-(1H-pyrazol-1-yl)benzyl]-2,8-diazaspiro[4.5]decane
CID 56716324
2-[5-methoxy-2-(1H-pyrazol-1-yl)benzyl]-2,7-diazaspiro[4.5]decane
CID 56741682
({4-[5-methoxy-2-(1H-pyrazol-1-yl)benzyl]-1,4-oxazepan-6-yl}methyl)dimethylamine
CID 56896010
1-(3-methoxyphenyl)-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]methanamine
CID 72022666
4-(4-Methoxyphenyl)-1-phenylpyrazole
CID 4649683
1-(2-methoxyphenyl)-1H-pyrazole
CID 11286747
[1-(4-methoxyphenyl)-1H-pyrazol-3-yl]methanamine hydrochloride
CID 45792003
(3S*,4R*)-4-(hydroxymethyl)-1-[5-methoxy-2-(1H-pyrazol-1-yl)benzyl]-3-piperidinol
CID 56890360

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride?
The IUPAC name of (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride (CID 167742382) is (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride.
What is the SMILES notation for (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride?
The canonical SMILES for (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride is COc1cccc(CN)c1-n1cccn1.Cl.Cl.
What is the InChIKey of (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride?
The InChIKey is SJZSHHIZEJJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.2ClH/c1-15-10-5-2-4-9(8-12)11(10)14-7-3-6-13-14;;/h2-7H,8,12H2,1H3;2*1H.
What are the key properties of (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride?
(3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride has a molecular weight of 276.17 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-pyrazol-1-ylphenyl)methanamine;dihydrochloride is sourced from PubChem (CID 167742382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).