N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide

C11H15N5O2 — CID 77094158

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2/c1-18-3-2-16-8-12-6-10(16)7-13-11(17)9-4-14-15-5-9/h4-6,8H,2-3,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyDBQXBEUYHNOFKC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.18
Rot. Bonds6

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 77094158) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID77094158
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2/c1-18-3-2-16-8-12-6-10(16)7-13-11(17)9-4-14-15-5-9/h4-6,8H,2-3,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyDBQXBEUYHNOFKC-UHFFFAOYSA-N
XLogP0.18
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide (CID 77094158) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide is COCCn1cncc1CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DBQXBEUYHNOFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-18-3-2-16-8-12-6-10(16)7-13-11(17)9-4-14-15-5-9/h4-6,8H,2-3,7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77094158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).