[3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate

C16H21N3O2 — CID 90058846

IUPAC[3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Cn2cc(C(C)C)cn2)c1
InChIInChI=1S/C16H21N3O2/c1-12(2)15-8-18-19(10-15)9-13-5-4-6-14(7-13)11-21-16(20)17-3/h4-8,10,12H,9,11H2,1-3H3,(H,17,20)
InChIKeyHSPFQUPSNNRAPG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds5

About [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate

[3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate (PubChem CID 90058846) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate
PubChem CID90058846
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(Cn2cc(C(C)C)cn2)c1
InChIInChI=1S/C16H21N3O2/c1-12(2)15-8-18-19(10-15)9-13-5-4-6-14(7-13)11-21-16(20)17-3/h4-8,10,12H,9,11H2,1-3H3,(H,17,20)
InChIKeyHSPFQUPSNNRAPG-UHFFFAOYSA-N
XLogP2.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 84587706
CID 84587706
CID 91629688
CID 91629688
CID 71858072
CID 71858072
CID 126823763
CID 126823763
CID 66928264
CID 66928264
CID 66929274
CID 66929274
CID 166044415
CID 166044415
CID 166792964
CID 166792964
CID 168756649
CID 168756649
CID 168901414
CID 168901414
CID 168901881
CID 168901881
CID 169728168
CID 169728168

Frequently Asked Questions

What is the IUPAC name of [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate?
The IUPAC name of [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate (CID 90058846) is [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1cccc(Cn2cc(C(C)C)cn2)c1.
What is the InChIKey of [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate?
The InChIKey is HSPFQUPSNNRAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)15-8-18-19(10-15)9-13-5-4-6-14(7-13)11-21-16(20)17-3/h4-8,10,12H,9,11H2,1-3H3,(H,17,20).
What are the key properties of [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate?
[3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate has a molecular weight of 287.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-propan-2-ylpyrazol-1-yl)methyl]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 90058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).