methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate

C17H22N4O3 — CID 56789428

IUPACmethyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)NC(C)Cn1nc(C)cc1C
InChIInChI=1S/C17H22N4O3/c1-11-9-13(3)21(20-11)10-12(2)18-16(22)14-7-5-6-8-15(14)19-17(23)24-4/h5-9,12H,10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyBKLAJKRRAZFQCR-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.50
Rot. Bonds5

About methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate

methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate (PubChem CID 56789428) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
PubChem CID56789428
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Namemethyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)NC(C)Cn1nc(C)cc1C
InChIInChI=1S/C17H22N4O3/c1-11-9-13(3)21(20-11)10-12(2)18-16(22)14-7-5-6-8-15(14)19-17(23)24-4/h5-9,12H,10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyBKLAJKRRAZFQCR-UHFFFAOYSA-N
XLogP2.50
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
CID 119064151
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 100585086
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852951
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97129962
1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97443408
methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]benzoate
CID 100584704
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51597569
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate (CID 56789428) is methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate is COC(=O)Nc1ccccc1C(=O)NC(C)Cn1nc(C)cc1C.
What is the InChIKey of methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate?
The InChIKey is BKLAJKRRAZFQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-9-13(3)21(20-11)10-12(2)18-16(22)14-7-5-6-8-15(14)19-17(23)24-4/h5-9,12H,10H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate?
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate has a molecular weight of 330.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 56789428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).