(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide

C16H21N3O2 — CID 97434347

IUPAC(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide
SMILESCC(C)COc1cccc(-c2cnn([C@H](C)C(N)=O)c2)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)10-21-15-6-4-5-13(7-15)14-8-18-19(9-14)12(3)16(17)20/h4-9,11-12H,10H2,1-3H3,(H2,17,20)/t12-/m1/s1
InChIKeyUVXIWEDNSADVJW-GFCCVEGCSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds6

About (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide

(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide (PubChem CID 97434347) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide
PubChem CID97434347
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide
SMILESCC(C)COc1cccc(-c2cnn([C@H](C)C(N)=O)c2)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)10-21-15-6-4-5-13(7-15)14-8-18-19(9-14)12(3)16(17)20/h4-9,11-12H,10H2,1-3H3,(H2,17,20)/t12-/m1/s1
InChIKeyUVXIWEDNSADVJW-GFCCVEGCSA-N
XLogP2.63
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]propanamide
CID 126426099
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
(2S)-2-[4-(3-chlorophenyl)pyrazol-1-yl]propanoic acid
CID 97034148
(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide
CID 173052460
2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
CID 164607154
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide (CID 97434347) is (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide is CC(C)COc1cccc(-c2cnn([C@H](C)C(N)=O)c2)c1.
What is the InChIKey of (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide?
The InChIKey is UVXIWEDNSADVJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)10-21-15-6-4-5-13(7-15)14-8-18-19(9-14)12(3)16(17)20/h4-9,11-12H,10H2,1-3H3,(H2,17,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide?
(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 97434347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).