2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide

C19H22N4O3 — CID 90971058

IUPAC2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(Oc2c(C3CC3)nn(C(C)C(N)=O)c2CO)cc(C)c1C#N
InChIInChI=1S/C19H22N4O3/c1-10-6-14(7-11(2)15(10)8-20)26-18-16(9-24)23(12(3)19(21)25)22-17(18)13-4-5-13/h6-7,12-13,24H,4-5,9H2,1-3H3,(H2,21,25)
InChIKeySVTSVVFJSCAINT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide

2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide (PubChem CID 90971058) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide
PubChem CID90971058
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(Oc2c(C3CC3)nn(C(C)C(N)=O)c2CO)cc(C)c1C#N
InChIInChI=1S/C19H22N4O3/c1-10-6-14(7-11(2)15(10)8-20)26-18-16(9-24)23(12(3)19(21)25)22-17(18)13-4-5-13/h6-7,12-13,24H,4-5,9H2,1-3H3,(H2,21,25)
InChIKeySVTSVVFJSCAINT-UHFFFAOYSA-N
XLogP2.58
TPSA114.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-cyclopropyl-1-(1,1-dioxothietan-3-yl)-5-(hydroxymethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile
CID 69218301
ethyl 4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-1-methylpyrazole-5-carboxylate
CID 69174067
ethyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 71020571
2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]-N-methylacetamide
CID 68913768
tert-butyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropylpyrazol-1-yl]-2-methylpropanoate
CID 91006489
ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 69258943
2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid
CID 69257439
4-(1,3-dicyclopropyl-1,3-dioxopropan-2-yl)oxy-2,6-dimethylbenzonitrile
CID 59709122
ethyl 2-[4-(4-cyanophenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 90995777
2-[4-(4-cyano-3,5-dimethylphenoxy)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
CID 68910922
6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
CID 163870027
4-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile;4-methylbenzenesulfonic acid
CID 159461055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide?
The IUPAC name of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide (CID 90971058) is 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide is Cc1cc(Oc2c(C3CC3)nn(C(C)C(N)=O)c2CO)cc(C)c1C#N.
What is the InChIKey of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide?
The InChIKey is SVTSVVFJSCAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-10-6-14(7-11(2)15(10)8-20)26-18-16(9-24)23(12(3)19(21)25)22-17(18)13-4-5-13/h6-7,12-13,24H,4-5,9H2,1-3H3,(H2,21,25).
What are the key properties of 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide?
2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 90971058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).