(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol

C18H27FN4O — CID 95139543

IUPAC(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESCc1nn(C)c(N(C)C)c1CNC[C@@H](CO)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN4O/c1-13-17(18(22(2)3)23(4)21-13)11-20-10-15(12-24)9-14-5-7-16(19)8-6-14/h5-8,15,20,24H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyUOPRFFYPABWYON-HNNXBMFYSA-N
MW334.44 g/mol
LogP1.87
Rot. Bonds8

About (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol

(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol (PubChem CID 95139543) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol
PubChem CID95139543
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESCc1nn(C)c(N(C)C)c1CNC[C@@H](CO)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN4O/c1-13-17(18(22(2)3)23(4)21-13)11-20-10-15(12-24)9-14-5-7-16(19)8-6-14/h5-8,15,20,24H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyUOPRFFYPABWYON-HNNXBMFYSA-N
XLogP1.87
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol with MolForge

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Related Compounds

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
(1S)-N'-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 94823154
4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94824668
N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
CID 51105393
(2R)-2-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
CID 94823669
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-2-fluorobenzamide
CID 51105210
4-[[(2-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104667
1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
CID 112727185
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413584
N,N,1,3-tetramethyl-4-[[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]methyl]pyrazol-5-amine
CID 94821631
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine;hydrochloride
CID 51105339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol (CID 95139543) is (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol is Cc1nn(C)c(N(C)C)c1CNC[C@@H](CO)Cc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is UOPRFFYPABWYON-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-13-17(18(22(2)3)23(4)21-13)11-20-10-15(12-24)9-14-5-7-16(19)8-6-14/h5-8,15,20,24H,9-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol?
(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 334.44 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 95139543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).