1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol

C12H18F2N2O — CID 114225169

IUPAC1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC2CCC(F)(F)C2)c1
InChIInChI=1S/C12H18F2N2O/c1-2-11(17)10-6-15-16(8-10)7-9-3-4-12(13,14)5-9/h6,8-9,11,17H,2-5,7H2,1H3
InChIKeyDLCWGKIDXBIGAG-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.76
Rot. Bonds4

About 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol

1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol (PubChem CID 114225169) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol
PubChem CID114225169
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC2CCC(F)(F)C2)c1
InChIInChI=1S/C12H18F2N2O/c1-2-11(17)10-6-15-16(8-10)7-9-3-4-12(13,14)5-9/h6,8-9,11,17H,2-5,7H2,1H3
InChIKeyDLCWGKIDXBIGAG-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol
CID 130487700
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
CID 64775504
1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoropropan-2-yl)-4-methylpyrazole
CID 175828684
1-[(3,3-difluorocyclopentyl)methyl]triazole-4-carboxamide
CID 146136211
N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine
CID 114225272
[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]boronic acid
CID 164651773
N-[[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 114225072

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol (CID 114225169) is 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CC2CCC(F)(F)C2)c1.
What is the InChIKey of 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is DLCWGKIDXBIGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-2-11(17)10-6-15-16(8-10)7-9-3-4-12(13,14)5-9/h6,8-9,11,17H,2-5,7H2,1H3.
What are the key properties of 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol?
1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 244.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 114225169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).