(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol

C12H18F2N2O — CID 114215857

IUPAC(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H18F2N2O/c1-2-5-16-8-10(7-15-16)11(17)9-3-4-12(13,14)6-9/h7-9,11,17H,2-6H2,1H3
InChIKeyWPZGHTBXSYZACI-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.76
Rot. Bonds4

About (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol

(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 114215857) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
PubChem CID114215857
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H18F2N2O/c1-2-5-16-8-10(7-15-16)11(17)9-3-4-12(13,14)6-9/h7-9,11,17H,2-6H2,1H3
InChIKeyWPZGHTBXSYZACI-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

Analyze (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol
CID 114225169
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol (CID 114215857) is (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2CCC(F)(F)C2)cn1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is WPZGHTBXSYZACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-2-5-16-8-10(7-15-16)11(17)9-3-4-12(13,14)6-9/h7-9,11,17H,2-6H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol?
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol 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 (3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 114215857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).