[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate

C18H17N3O2 — CID 68564151

IUPAC[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-2-4-14(5-3-13)10-19-18(22)23-17-8-6-15(7-9-17)16-11-20-21-12-16/h2-9,11-12H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGWNSVDSMHHALKF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.67
Rot. Bonds4

About [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate

[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate (PubChem CID 68564151) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
PubChem CID68564151
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-2-4-14(5-3-13)10-19-18(22)23-17-8-6-15(7-9-17)16-11-20-21-12-16/h2-9,11-12H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGWNSVDSMHHALKF-UHFFFAOYSA-N
XLogP3.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 21130773
(4-methylphenyl) N-benzylcarbamate
CID 14292552
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
(4-methylphenyl) N-[[4-(diaminomethylideneamino)phenyl]methyl]carbamate
CID 58849415
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate
CID 68561768
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 167973392
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
The IUPAC name of [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate (CID 68564151) is [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate.
What is the SMILES notation for [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
The canonical SMILES for [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate is Cc1ccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
The InChIKey is GWNSVDSMHHALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-2-4-14(5-3-13)10-19-18(22)23-17-8-6-15(7-9-17)16-11-20-21-12-16/h2-9,11-12H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 68564151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).