(6-pyrazol-1-yl-2-pyridinyl)methyl carbamate

C10H10N4O2 — CID 58996350

IUPAC(6-pyrazol-1-yl-2-pyridinyl)methyl carbamate
SMILESNC(=O)OCc1cccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O2/c11-10(15)16-7-8-3-1-4-9(13-8)14-6-2-5-12-14/h1-6H,7H2,(H2,11,15)
InChIKeyRXEQSOSVZDSKEQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.86
Rot. Bonds3

About (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate

(6-pyrazol-1-yl-2-pyridinyl)methyl carbamate (PubChem CID 58996350) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(6-pyrazol-1-yl-2-pyridinyl)methyl carbamate
PubChem CID58996350
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(6-pyrazol-1-yl-2-pyridinyl)methyl carbamate
SMILESNC(=O)OCc1cccc(-n2cccn2)n1
InChIInChI=1S/C10H10N4O2/c11-10(15)16-7-8-3-1-4-9(13-8)14-6-2-5-12-14/h1-6H,7H2,(H2,11,15)
InChIKeyRXEQSOSVZDSKEQ-UHFFFAOYSA-N
XLogP0.86
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate?
The IUPAC name of (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate (CID 58996350) is (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate.
What is the SMILES notation for (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate?
The canonical SMILES for (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate is NC(=O)OCc1cccc(-n2cccn2)n1.
What is the InChIKey of (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate?
The InChIKey is RXEQSOSVZDSKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-10(15)16-7-8-3-1-4-9(13-8)14-6-2-5-12-14/h1-6H,7H2,(H2,11,15).
What are the key properties of (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate?
(6-pyrazol-1-yl-2-pyridinyl)methyl carbamate has a molecular weight of 218.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyrazol-1-yl-2-pyridinyl)methyl carbamate is sourced from PubChem (CID 58996350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).