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

C17H15N3O2 — CID 68565711

IUPACbenzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)OCc1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(22-12-13-4-2-1-3-5-13)20-16-8-6-14(7-9-16)15-10-18-19-11-15/h1-11H,12H2,(H,18,19)(H,20,21)
InChIKeyFBVPIOMMLDGIAJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.83
Rot. Bonds4

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

benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate (PubChem CID 68565711) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
PubChem CID68565711
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Namebenzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)OCc1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(22-12-13-4-2-1-3-5-13)20-16-8-6-14(7-9-16)15-10-18-19-11-15/h1-11H,12H2,(H,18,19)(H,20,21)
InChIKeyFBVPIOMMLDGIAJ-UHFFFAOYSA-N
XLogP3.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68567421
2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 154877121
Carbamic acid, 1-naphthalenyl-, 1H-pyrazol-4-ylmethyl ester
CID 3087672
benzyl N-(1H-pyrazol-4-yl)carbamate
CID 43540488
2-phenylethyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 117076397
3-(2-phenylethoxymethyl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 71913619
benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 117075803
2-phenylethyl N-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 117076400
(3-methoxyphenyl)methyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 117076609
(3-methylphenyl)methyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 117076660
(3-chlorophenyl)methyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 117076661
(3-fluorophenyl)methyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 117076662

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate (CID 68565711) is benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate is O=C(Nc1ccc(-c2cn[nH]c2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
The InChIKey is FBVPIOMMLDGIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(22-12-13-4-2-1-3-5-13)20-16-8-6-14(7-9-16)15-10-18-19-11-15/h1-11H,12H2,(H,18,19)(H,20,21).
What are the key properties of benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate?
benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate has a molecular weight of 293.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 68565711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).