5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride

C6H10ClN3O2 — CID 75468759

IUPAC5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
SMILESCl.Cn1ncc(C(=O)O)c1CN
InChIInChI=1S/C6H9N3O2.ClH/c1-9-5(2-7)4(3-8-9)6(10)11;/h3H,2,7H2,1H3,(H,10,11);1H
InChIKeyFYOPCMJIIRXSJC-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.00
Rot. Bonds2

About 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride

5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride (PubChem CID 75468759) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
PubChem CID75468759
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
SMILESCl.Cn1ncc(C(=O)O)c1CN
InChIInChI=1S/C6H9N3O2.ClH/c1-9-5(2-7)4(3-8-9)6(10)11;/h3H,2,7H2,1H3,(H,10,11);1H
InChIKeyFYOPCMJIIRXSJC-UHFFFAOYSA-N
XLogP-0.00
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
CID 165464413
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-(3-aminopropylsulfanylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630087
1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116630240
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
1-methyl-5-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
CID 116629642
5-(tert-butylsulfonylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630464
5-[(4-chlorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 14747589
[4-(1-ethoxyethenyl)-1-methylpyrazol-5-yl]methanamine
CID 165465616
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632444
5-[(4-carbamoylpiperidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631677

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride (CID 75468759) is 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride is Cl.Cn1ncc(C(=O)O)c1CN.
What is the InChIKey of 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride?
The InChIKey is FYOPCMJIIRXSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-9-5(2-7)4(3-8-9)6(10)11;/h3H,2,7H2,1H3,(H,10,11);1H.
What are the key properties of 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride?
5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 75468759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).