5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride

C7H11ClN2 — CID 86775699

IUPAC5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride
SMILESCC1(c2ccn[nH]2)CC1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-7(3-4-7)6-2-5-8-9-6;/h2,5H,3-4H2,1H3,(H,8,9);1H
InChIKeyIZVHGMIZBMQFEV-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.88
Rot. Bonds1

About 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride

5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride (PubChem CID 86775699) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride
PubChem CID86775699
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride
SMILESCC1(c2ccn[nH]2)CC1.Cl
InChIInChI=1S/C7H10N2.ClH/c1-7(3-4-7)6-2-5-8-9-6;/h2,5H,3-4H2,1H3,(H,8,9);1H
InChIKeyIZVHGMIZBMQFEV-UHFFFAOYSA-N
XLogP1.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
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N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine
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4,6-dimethyl-2-[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
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5-(7-oxabicyclo[2.2.1]heptan-1-yl)-1H-pyrazole
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CID 82605756
[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124987721
5-[1-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-pyrazole
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7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol
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CID 174719068

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride?
The IUPAC name of 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride (CID 86775699) is 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride is CC1(c2ccn[nH]2)CC1.Cl.
What is the InChIKey of 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride?
The InChIKey is IZVHGMIZBMQFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.ClH/c1-7(3-4-7)6-2-5-8-9-6;/h2,5H,3-4H2,1H3,(H,8,9);1H.
What are the key properties of 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride?
5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride has a molecular weight of 158.63 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 86775699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).