[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride

C8H12ClN5 — CID 138991036

IUPAC[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.Cn1nccc1-c1[nH]ncc1CN
InChIInChI=1S/C8H11N5.ClH/c1-13-7(2-3-11-13)8-6(4-9)5-10-12-8;/h2-3,5H,4,9H2,1H3,(H,10,12);1H
InChIKeyZOLOQTBSGKOHQG-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.69
Rot. Bonds2

About [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride

[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 138991036) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride
PubChem CID138991036
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.Cn1nccc1-c1[nH]ncc1CN
InChIInChI=1S/C8H11N5.ClH/c1-13-7(2-3-11-13)8-6(4-9)5-10-12-8;/h2-3,5H,4,9H2,1H3,(H,10,12);1H
InChIKeyZOLOQTBSGKOHQG-UHFFFAOYSA-N
XLogP0.69
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386
3-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole
CID 2742128
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 16192057
US10155727, Example 44
CID 118864198
US10155727, Example 40
CID 118864296
US10155727, Example 93
CID 118864321
US10155727, Example 56
CID 118864355
US10155727, Example 39
CID 118864388
US10155727, Example 35
CID 118864417
3-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-amine
CID 19614643
1'-Ethyl-3'-methyl-1'H,2H-3,4'-bipyrazole
CID 7017815

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride (CID 138991036) is [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride is Cl.Cn1nccc1-c1[nH]ncc1CN.
What is the InChIKey of [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is ZOLOQTBSGKOHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5.ClH/c1-13-7(2-3-11-13)8-6(4-9)5-10-12-8;/h2-3,5H,4,9H2,1H3,(H,10,12);1H.
What are the key properties of [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride?
[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 213.67 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 138991036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).