[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate

C17H22N4O3 — CID 174936365

IUPAC[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(CNC(=O)c2cn[nH]c2)cc1)OC(N)=O
InChIInChI=1S/C17H22N4O3/c1-17(2,24-16(18)23)8-7-12-3-5-13(6-4-12)9-19-15(22)14-10-20-21-11-14/h3-6,10-11H,7-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyDRQYFLZYNWVERM-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.15
Rot. Bonds7

About [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate

[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate (PubChem CID 174936365) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
PubChem CID174936365
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(CNC(=O)c2cn[nH]c2)cc1)OC(N)=O
InChIInChI=1S/C17H22N4O3/c1-17(2,24-16(18)23)8-7-12-3-5-13(6-4-12)9-19-15(22)14-10-20-21-11-14/h3-6,10-11H,7-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyDRQYFLZYNWVERM-UHFFFAOYSA-N
XLogP2.15
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
4-[(1H-pyrazole-4-carbonylamino)methyl]benzenesulfonyl chloride
CID 55179604
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 122157149
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate?
The IUPAC name of [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate (CID 174936365) is [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate?
The canonical SMILES for [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate is CC(C)(CCc1ccc(CNC(=O)c2cn[nH]c2)cc1)OC(N)=O.
What is the InChIKey of [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate?
The InChIKey is DRQYFLZYNWVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,24-16(18)23)8-7-12-3-5-13(6-4-12)9-19-15(22)14-10-20-21-11-14/h3-6,10-11H,7-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,21).
What are the key properties of [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate?
[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate has a molecular weight of 330.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate is sourced from PubChem (CID 174936365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).