N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide

C12H13N3O2 — CID 61273892

IUPACN-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c1-17-8-9-4-2-3-5-11(9)15-12(16)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyAOGLLASOYSXWPB-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.81
Rot. Bonds4

About N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide

N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 61273892) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID61273892
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c1-17-8-9-4-2-3-5-11(9)15-12(16)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyAOGLLASOYSXWPB-UHFFFAOYSA-N
XLogP1.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,3-dimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide
CID 141162779
N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63998640
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055
N-[2-(methoxymethyl)phenyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640992
2-chloro-N-[2-(methoxymethyl)phenyl]-6-(methylamino)pyridine-4-carboxamide
CID 62178501
6-(ethylamino)-N-[2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62177976
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]benzamide
CID 62178678
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
N-(2-methoxy-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60973003

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 61273892) is N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide is COCc1ccccc1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AOGLLASOYSXWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-8-9-4-2-3-5-11(9)15-12(16)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61273892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).