5-(3,3-difluorocyclopentyl)-1-methylpyrazole

C9H12F2N2 — CID 134224472

IUPAC5-(3,3-difluorocyclopentyl)-1-methylpyrazole
SMILESCn1nccc1C1CCC(F)(F)C1
InChIInChI=1S/C9H12F2N2/c1-13-8(3-5-12-13)7-2-4-9(10,11)6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyMJRHPDHCMAMVRX-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.32
Rot. Bonds1

About 5-(3,3-difluorocyclopentyl)-1-methylpyrazole

5-(3,3-difluorocyclopentyl)-1-methylpyrazole (PubChem CID 134224472) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 5-(3,3-difluorocyclopentyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3,3-difluorocyclopentyl)-1-methylpyrazole
PubChem CID134224472
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name5-(3,3-difluorocyclopentyl)-1-methylpyrazole
SMILESCn1nccc1C1CCC(F)(F)C1
InChIInChI=1S/C9H12F2N2/c1-13-8(3-5-12-13)7-2-4-9(10,11)6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyMJRHPDHCMAMVRX-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1-Methyl-3-t-butylpyrazole
CID 145633
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
5-cyclopropyl-1-methyl-1H-pyrazole
CID 25247754
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
1-Methyl-5-t-butylpyrazole
CID 145634

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclopentyl)-1-methylpyrazole?
The IUPAC name of 5-(3,3-difluorocyclopentyl)-1-methylpyrazole (CID 134224472) is 5-(3,3-difluorocyclopentyl)-1-methylpyrazole.
What is the SMILES notation for 5-(3,3-difluorocyclopentyl)-1-methylpyrazole?
The canonical SMILES for 5-(3,3-difluorocyclopentyl)-1-methylpyrazole is Cn1nccc1C1CCC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluorocyclopentyl)-1-methylpyrazole?
The InChIKey is MJRHPDHCMAMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-13-8(3-5-12-13)7-2-4-9(10,11)6-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 5-(3,3-difluorocyclopentyl)-1-methylpyrazole?
5-(3,3-difluorocyclopentyl)-1-methylpyrazole has a molecular weight of 186.20 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclopentyl)-1-methylpyrazole is sourced from PubChem (CID 134224472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).