N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide

C15H15N5O2 — CID 56863738

IUPACN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H15N5O2/c1-10-16-6-7-20(10)12-4-2-11(3-5-12)9-17-15(22)13-8-14(21)19-18-13/h2-8H,9H2,1H3,(H,17,22)(H2,18,19,21)
InChIKeyCEYHYESONINGLS-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.13
Rot. Bonds4

About N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 56863738) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID56863738
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H15N5O2/c1-10-16-6-7-20(10)12-4-2-11(3-5-12)9-17-15(22)13-8-14(21)19-18-13/h2-8H,9H2,1H3,(H,17,22)(H2,18,19,21)
InChIKeyCEYHYESONINGLS-UHFFFAOYSA-N
XLogP1.13
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
CID 53159097
5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 91795041
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70751626
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 92673554
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99948662
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
2-benzylsulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908476

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 56863738) is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide is Cc1nccn1-c1ccc(CNC(=O)c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is CEYHYESONINGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-16-6-7-20(10)12-4-2-11(3-5-12)9-17-15(22)13-8-14(21)19-18-13/h2-8H,9H2,1H3,(H,17,22)(H2,18,19,21).
What are the key properties of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 56863738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).