1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate

C15H13N3O2 — CID 3087672

IUPAC1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OCc1cn[nH]c1
InChIInChI=1S/C15H13N3O2/c19-15(20-10-11-8-16-17-9-11)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyXQCVCBPTVPMRNF-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.31
Rot. Bonds3

About 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate

1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate (PubChem CID 3087672) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate
PubChem CID3087672
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)OCc1cn[nH]c1
InChIInChI=1S/C15H13N3O2/c19-15(20-10-11-8-16-17-9-11)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyXQCVCBPTVPMRNF-UHFFFAOYSA-N
XLogP3.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-ylurea;hydrochloride
CID 141142203
[8-(phenylmethoxycarbonylamino)naphthalen-2-yl] trifluoromethanesulfonate
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(2-carbamoylphenyl) N-naphthalen-1-ylcarbamate
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benzyl N-(3-methoxynaphthalen-1-yl)carbamate
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2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
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[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
CID 102238094
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(2-ethylphenyl)-2-(1H-pyrazol-4-ylmethoxy)acetamide
CID 126837470
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
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benzyl N-[4-(trifluoromethyl)isoquinolin-5-yl]carbamate
CID 91286717

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate?
The IUPAC name of 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate (CID 3087672) is 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate is O=C(Nc1cccc2ccccc12)OCc1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate?
The InChIKey is XQCVCBPTVPMRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20-10-11-8-16-17-9-11)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate?
1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate has a molecular weight of 267.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 3087672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).