[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone

C18H25F2N3O2 — CID 131690014

IUPAC[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
SMILESCn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)C2CC(F)(F)C2)cn1
InChIInChI=1S/C18H25F2N3O2/c1-22-10-13(9-21-22)6-15-16(25-11-12-2-3-12)4-5-23(15)17(24)14-7-18(19,20)8-14/h9-10,12,14-16H,2-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyQHUGJMSWJJLKOY-JKSUJKDBSA-N
MW353.41 g/mol
LogP2.40
Rot. Bonds6

About [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone

[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 131690014) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
PubChem CID131690014
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
SMILESCn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)C2CC(F)(F)C2)cn1
InChIInChI=1S/C18H25F2N3O2/c1-22-10-13(9-21-22)6-15-16(25-11-12-2-3-12)4-5-23(15)17(24)14-7-18(19,20)8-14/h9-10,12,14-16H,2-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyQHUGJMSWJJLKOY-JKSUJKDBSA-N
XLogP2.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone (CID 131690014) is [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone is Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)C2CC(F)(F)C2)cn1.
What is the InChIKey of [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is QHUGJMSWJJLKOY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-22-10-13(9-21-22)6-15-16(25-11-12-2-3-12)4-5-23(15)17(24)14-7-18(19,20)8-14/h9-10,12,14-16H,2-8,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 353.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 131690014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).