5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole

C8H11F2N3 — CID 131101674

IUPAC5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
SMILESFC1(F)CCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C8H11F2N3/c9-8(10)2-4-13(6-8)5-7-1-3-11-12-7/h1,3H,2,4-6H2,(H,11,12)
InChIKeyZBTBVDNZQIEZDF-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.25
Rot. Bonds2

About 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole

5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole (PubChem CID 131101674) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
PubChem CID131101674
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
SMILESFC1(F)CCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C8H11F2N3/c9-8(10)2-4-13(6-8)5-7-1-3-11-12-7/h1,3H,2,4-6H2,(H,11,12)
InChIKeyZBTBVDNZQIEZDF-UHFFFAOYSA-N
XLogP1.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157
4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 141031204
5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
CID 126782198
ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
CID 144702602
1-[(4-fluorophenyl)methyl]-7-(1H-pyrazol-5-ylmethyl)-1,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856367
2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 110114192
4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
CID 122140252
1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 134810617
1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866
4-(1H-pyrazol-5-ylmethyl)-1,4-thiazepane
CID 130978157
2-[(3-fluorophenyl)methyl]-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131647798
2-[(3,3-difluoropyrrolidine-1-carbonyl)amino]-3-(1H-pyrazol-5-yl)propanoic acid
CID 166279263

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole?
The IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole (CID 131101674) is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole.
What is the SMILES notation for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole?
The canonical SMILES for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole is FC1(F)CCN(Cc2ccn[nH]2)C1.
What is the InChIKey of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole?
The InChIKey is ZBTBVDNZQIEZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-8(10)2-4-13(6-8)5-7-1-3-11-12-7/h1,3H,2,4-6H2,(H,11,12).
What are the key properties of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole?
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole has a molecular weight of 187.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole is sourced from PubChem (CID 131101674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).