[2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid

C19H25N3O3 — CID 175511362

IUPAC[2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(C(=O)O)C(C)(C)CCC(=O)c1cnn(C)c1
InChIInChI=1S/C19H25N3O3/c1-14(15-8-6-5-7-9-15)22(18(24)25)19(2,3)11-10-17(23)16-12-20-21(4)13-16/h5-9,12-14H,10-11H2,1-4H3,(H,24,25)
InChIKeyIAVNJFCJSZCGCE-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.90
Rot. Bonds7

About [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid

[2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid (PubChem CID 175511362) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid.

Molecular Properties

Compound Name[2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid
PubChem CID175511362
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(C(=O)O)C(C)(C)CCC(=O)c1cnn(C)c1
InChIInChI=1S/C19H25N3O3/c1-14(15-8-6-5-7-9-15)22(18(24)25)19(2,3)11-10-17(23)16-12-20-21(4)13-16/h5-9,12-14H,10-11H2,1-4H3,(H,24,25)
InChIKeyIAVNJFCJSZCGCE-UHFFFAOYSA-N
XLogP3.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
CID 51101144
1-(1-methylpyrazol-4-yl)-3-methylsulfanylpropan-1-one
CID 105082349
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
CID 170711377
3-amino-3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116580990
N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 95324134
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
CID 51090804
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195914

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid?
The IUPAC name of [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid (CID 175511362) is [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid.
What is the SMILES notation for [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid?
The canonical SMILES for [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid is CC(c1ccccc1)N(C(=O)O)C(C)(C)CCC(=O)c1cnn(C)c1.
What is the InChIKey of [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid?
The InChIKey is IAVNJFCJSZCGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(15-8-6-5-7-9-15)22(18(24)25)19(2,3)11-10-17(23)16-12-20-21(4)13-16/h5-9,12-14H,10-11H2,1-4H3,(H,24,25).
What are the key properties of [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid?
[2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid has a molecular weight of 343.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(1-methylpyrazol-4-yl)-5-oxopentan-2-yl]-(1-phenylethyl)carbamic acid is sourced from PubChem (CID 175511362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).