5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride

C9H16ClN3 — CID 22853244

IUPAC5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride
SMILESCc1cc([C@@H]2CCCN2C)n[nH]1.Cl
InChIInChI=1S/C9H15N3.ClH/c1-7-6-8(11-10-7)9-4-3-5-12(9)2;/h6,9H,3-5H2,1-2H3,(H,10,11);1H/t9-;/m0./s1
InChIKeyWZJYRFJTTGQRFJ-FVGYRXGTSA-N
MW201.70 g/mol
LogP1.91
Rot. Bonds1

About 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride

5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride (PubChem CID 22853244) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride
PubChem CID22853244
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride
SMILESCc1cc([C@@H]2CCCN2C)n[nH]1.Cl
InChIInChI=1S/C9H15N3.ClH/c1-7-6-8(11-10-7)9-4-3-5-12(9)2;/h6,9H,3-5H2,1-2H3,(H,10,11);1H/t9-;/m0./s1
InChIKeyWZJYRFJTTGQRFJ-FVGYRXGTSA-N
XLogP1.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
3-(pyrrolidin-2-yl)-1H-pyrazole
CID 23282562
1,4-dithiepan-6-yl(methyl)[(5-propyl-1H-pyrazol-3-yl)methyl]amine
CID 50955270
N-methyl-N-[(5-propyl-1H-pyrazol-3-yl)methyl]tetrahydro-2H-thiopyran-4-amine
CID 50974668
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
6,19-Dioctyl-3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene;hydrochloride
CID 70697170
3-(1-Isopropylpyrrolidin-2-YL)-5-(trifluoromethyl)-1H-pyrazole
CID 110249230
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110250157
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
6,19-Dioctyl-3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(26),11,14(28),24(27)-tetraene
CID 70697171
Diethyl-(5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-amine
CID 11138670

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride?
The IUPAC name of 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride (CID 22853244) is 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride is Cc1cc([C@@H]2CCCN2C)n[nH]1.Cl.
What is the InChIKey of 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride?
The InChIKey is WZJYRFJTTGQRFJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H15N3.ClH/c1-7-6-8(11-10-7)9-4-3-5-12(9)2;/h6,9H,3-5H2,1-2H3,(H,10,11);1H/t9-;/m0./s1.
What are the key properties of 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride?
5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrazole;hydrochloride is sourced from PubChem (CID 22853244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).