1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole

C8H10F2N2 — CID 58496292

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole
SMILESCc1cnn(CC2CC2(F)F)c1
InChIInChI=1S/C8H10F2N2/c1-6-3-11-12(4-6)5-7-2-8(7,9)10/h3-4,7H,2,5H2,1H3
InChIKeyMMYKIOLBSQVREW-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.85
Rot. Bonds2

About 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole

1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole (PubChem CID 58496292) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole
PubChem CID58496292
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole
SMILESCc1cnn(CC2CC2(F)F)c1
InChIInChI=1S/C8H10F2N2/c1-6-3-11-12(4-6)5-7-2-8(7,9)10/h3-4,7H,2,5H2,1H3
InChIKeyMMYKIOLBSQVREW-UHFFFAOYSA-N
XLogP1.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylpyrazole
CID 136836
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
4-(chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 17854535
4-Ethynyl-1-(2-methylpropyl)-1H-pyrazole
CID 22042575
[(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)amine
CID 42281904
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 60146845
1-(cyclopropylmethyl)-4-iodo-1H-pyrazole
CID 64430983
1-cyclopropyl-4-methyl-1H-pyrazole
CID 66634668
(1-(2-fluoroethyl)-1H-pyrazol-4-yl)methanamine
CID 80695799
1-(difluoromethyl)-4-ethynyl-1H-pyrazole
CID 86706332
(1-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 99982813
1-(2,2-difluoroethyl)-4-ethynyl-1H-pyrazole
CID 122165682

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole (CID 58496292) is 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole is Cc1cnn(CC2CC2(F)F)c1.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole?
The InChIKey is MMYKIOLBSQVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-6-3-11-12(4-6)5-7-2-8(7,9)10/h3-4,7H,2,5H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole?
1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole has a molecular weight of 172.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-4-methylpyrazole is sourced from PubChem (CID 58496292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).