(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride

C6H12ClN3 — CID 45157159

IUPAC(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
SMILESCc1cc(CN)nn1C.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5-3-6(4-7)8-9(5)2;/h3H,4,7H2,1-2H3;1H
InChIKeyUKPONWNVVQFSIT-UHFFFAOYSA-N
MW161.64 g/mol
LogP0.61
Rot. Bonds1

About (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride

(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 45157159) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID45157159
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
SMILESCc1cc(CN)nn1C.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5-3-6(4-7)8-9(5)2;/h3H,4,7H2,1-2H3;1H
InChIKeyUKPONWNVVQFSIT-UHFFFAOYSA-N
XLogP0.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(iodomethyl)-1,5-dimethylpyrazole
CID 90127080
1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine
CID 82597537
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methylhydroxylamine
CID 82595635
(1-ethyl-5-methylpyrazol-3-yl)methanamine
CID 23005647
3-benzyl-1,5-dimethylpyrazole
CID 13225476
(1,5-dimethylpyrazol-3-yl)methoxyurea
CID 130610404
ethane;3-(2-ethylsulfanylethyl)-1,5-dimethylpyrazole
CID 144709007
4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 165472779
(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate
CID 86175486
2-(1,5-dimethylpyrazol-3-yl)ethyl formate
CID 90049420
1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one
CID 170992112

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride (CID 45157159) is (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride is Cc1cc(CN)nn1C.Cl.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is UKPONWNVVQFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-5-3-6(4-7)8-9(5)2;/h3H,4,7H2,1-2H3;1H.
What are the key properties of (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride?
(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 45157159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).