1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride

C7H14ClN3O — CID 156589610

IUPAC1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(COC)[nH]n1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-8-4-6-3-7(5-11-2)10-9-6;/h3,8H,4-5H2,1-2H3,(H,9,10);1H
InChIKeyPOTSBFGYHZXFOU-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.70
Rot. Bonds4

About 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride

1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 156589610) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID156589610
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(COC)[nH]n1.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-8-4-6-3-7(5-11-2)10-9-6;/h3,8H,4-5H2,1-2H3,(H,9,10);1H
InChIKeyPOTSBFGYHZXFOU-UHFFFAOYSA-N
XLogP0.70
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(methoxymethyl)-1H-pyrazole
CID 68529485
(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine
CID 95226564
2-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-2,5-dihydropyrrole-1-carboxamide
CID 150996483
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
CID 91772290
6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902697
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
CID 90920394
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
CID 46989113
6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
CID 91763873
2-[2-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70748491
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride (CID 156589610) is 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1cc(COC)[nH]n1.Cl.
What is the InChIKey of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is POTSBFGYHZXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c1-8-4-6-3-7(5-11-2)10-9-6;/h3,8H,4-5H2,1-2H3,(H,9,10);1H.
What are the key properties of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 156589610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).