N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate

C11H9ClN3O2- — CID 86668920

IUPACN-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate
SMILESO=C([O-])NCc1cc(-c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C11H10ClN3O2/c12-9-2-1-7(10-3-4-14-15-10)5-8(9)6-13-11(16)17/h1-5,13H,6H2,(H,14,15)(H,16,17)/p-1
InChIKeyGMSBEHHASXIKMK-UHFFFAOYSA-M
MW250.67 g/mol
LogP1.16
Rot. Bonds3

About N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate

N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate (PubChem CID 86668920) has the molecular formula C11H9ClN3O2- and a molecular weight of 250.67 g/mol. Its IUPAC name is N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound NameN-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate
PubChem CID86668920
Molecular FormulaC11H9ClN3O2-
Molecular Weight250.67 g/mol
Exact Mass250.04
IUPAC NameN-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate
SMILESO=C([O-])NCc1cc(-c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C11H10ClN3O2/c12-9-2-1-7(10-3-4-14-15-10)5-8(9)6-13-11(16)17/h1-5,13H,6H2,(H,14,15)(H,16,17)/p-1
InChIKeyGMSBEHHASXIKMK-UHFFFAOYSA-M
XLogP1.16
TPSA80.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.67
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
CID 166638943
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CID 115903776
3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide
CID 80645088
6-[2-chloro-5-(1H-pyrazol-5-yl)phenyl]-1-(2-methylquinolin-4-yl)hexan-1-one
CID 70383588
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
CID 111112930
N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 66854704
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
5-(4-chlorophenyl)-1H-pyrazole
CID 714291
3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 47285902
2-(2-chloro-6-fluorophenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779483
1-(2,5-dichlorophenyl)sulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 55729018
N-[(3-chloro-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 115750287

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate?
The IUPAC name of N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate (CID 86668920) is N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate.
What is the SMILES notation for N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate?
The canonical SMILES for N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate is O=C([O-])NCc1cc(-c2ccn[nH]2)ccc1Cl.
What is the InChIKey of N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate?
The InChIKey is GMSBEHHASXIKMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10ClN3O2/c12-9-2-1-7(10-3-4-14-15-10)5-8(9)6-13-11(16)17/h1-5,13H,6H2,(H,14,15)(H,16,17)/p-1.
What are the key properties of N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate?
N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate has a molecular weight of 250.67 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 86668920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).