(3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C17H22F2N4O — CID 97244157

IUPAC(3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1c(CN[C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C
InChIInChI=1S/C17H22F2N4O/c1-12-13(10-21-22(12)2)9-20-14-7-8-23(11-14)15-5-3-4-6-16(15)24-17(18)19/h3-6,10,14,17,20H,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyBWIHARNTHWEWKB-AWEZNQCLSA-N
MW336.39 g/mol
LogP2.70
Rot. Bonds6

About (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine

(3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 97244157) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID97244157
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCc1c(CN[C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C
InChIInChI=1S/C17H22F2N4O/c1-12-13(10-21-22(12)2)9-20-14-7-8-23(11-14)15-5-3-4-6-16(15)24-17(18)19/h3-6,10,14,17,20H,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyBWIHARNTHWEWKB-AWEZNQCLSA-N
XLogP2.70
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine 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

N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine
CID 102557441
1-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111921560
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 79578467
1-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111921473
1-cyclopropyl-3-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-ethylguanidine
CID 111921537
1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-amine
CID 43315583
1-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111921433
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 75515471
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 124564998
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91646113
N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
CID 43315198
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 97244157) is (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is Cc1c(CN[C@H]2CCN(c3ccccc3OC(F)F)C2)cnn1C.
What is the InChIKey of (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is BWIHARNTHWEWKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-12-13(10-21-22(12)2)9-20-14-7-8-23(11-14)15-5-3-4-6-16(15)24-17(18)19/h3-6,10,14,17,20H,7-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
(3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 336.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97244157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).