1-methylpyrazol-4-amine;hydrochloride

C4H8ClN3 — CID 17354268

IUPAC1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)cn1
InChIInChI=1S/C4H7N3.ClH/c1-7-3-4(5)2-6-7;/h2-3H,5H2,1H3;1H
InChIKeyOKPCAONVUKBJJQ-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.42
Rot. Bonds

About 1-methylpyrazol-4-amine;hydrochloride

1-methylpyrazol-4-amine;hydrochloride (PubChem CID 17354268) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is 1-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methylpyrazol-4-amine;hydrochloride
PubChem CID17354268
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC Name1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)cn1
InChIInChI=1S/C4H7N3.ClH/c1-7-3-4(5)2-6-7;/h2-3H,5H2,1H3;1H
InChIKeyOKPCAONVUKBJJQ-UHFFFAOYSA-N
XLogP0.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H-pyrazol-4-amine
CID 4770990
2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022
1-(1H-pyrazol-1-yl)propan-2-amine
CID 6483888
1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 12687197
1-(tert-butyl)-1H-pyrazol-4-amine
CID 13469817
4-azido-1-methyl-1H-pyrazole
CID 79781561
1-Ethyl-1h-pyrazol-4-amine
CID 7018640
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
1-[2-(diethylamino)ethyl]-1H-pyrazol-4-amine
CID 42281880
1,3-dimethyl-1H-pyrazol-4-amine
CID 4431056
1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 7015918
4-Isothiocyanato-1-methyl-1H-pyrazole
CID 7017563

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-methylpyrazol-4-amine;hydrochloride (CID 17354268) is 1-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-methylpyrazol-4-amine;hydrochloride is Cl.Cn1cc(N)cn1.
What is the InChIKey of 1-methylpyrazol-4-amine;hydrochloride?
The InChIKey is OKPCAONVUKBJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.ClH/c1-7-3-4(5)2-6-7;/h2-3H,5H2,1H3;1H.
What are the key properties of 1-methylpyrazol-4-amine;hydrochloride?
1-methylpyrazol-4-amine;hydrochloride has a molecular weight of 133.58 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 17354268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).