(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C19H24FN3O2 — CID 51597958

IUPAC(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C(=O)[C@H](C)Oc1ccccc1F)C1CC1
InChIInChI=1S/C19H24FN3O2/c1-12-16(13(2)22(4)21-12)11-23(15-9-10-15)19(24)14(3)25-18-8-6-5-7-17(18)20/h5-8,14-15H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyUJVISMFYEFIUND-AWEZNQCLSA-N
MW345.42 g/mol
LogP3.13
Rot. Bonds6

About (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 51597958) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID51597958
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CN(C(=O)[C@H](C)Oc1ccccc1F)C1CC1
InChIInChI=1S/C19H24FN3O2/c1-12-16(13(2)22(4)21-12)11-23(15-9-10-15)19(24)14(3)25-18-8-6-5-7-17(18)20/h5-8,14-15H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyUJVISMFYEFIUND-AWEZNQCLSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 72910145
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide
CID 35127965
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 4526719
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111684203
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 55965679
N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653893
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 35526603

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 51597958) is (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CN(C(=O)[C@H](C)Oc1ccccc1F)C1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is UJVISMFYEFIUND-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12-16(13(2)22(4)21-12)11-23(15-9-10-15)19(24)14(3)25-18-8-6-5-7-17(18)20/h5-8,14-15H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 345.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 51597958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).