formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide

C17H19N5O3 — CID 154922508

IUPACformic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
SMILESCn1cc(CCn2ccnc2-c2ccc(C(N)=O)cc2)cn1.O=CO
InChIInChI=1S/C16H17N5O.CH2O2/c1-20-11-12(10-19-20)6-8-21-9-7-18-16(21)14-4-2-13(3-5-14)15(17)22;2-1-3/h2-5,7,9-11H,6,8H2,1H3,(H2,17,22);1H,(H,2,3)
InChIKeyLCCNSBKISQAMBC-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.33
Rot. Bonds5

About formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide

formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide (PubChem CID 154922508) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide.

Molecular Properties

Compound Nameformic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
PubChem CID154922508
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Nameformic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
SMILESCn1cc(CCn2ccnc2-c2ccc(C(N)=O)cc2)cn1.O=CO
InChIInChI=1S/C16H17N5O.CH2O2/c1-20-11-12(10-19-20)6-8-21-9-7-18-16(21)14-4-2-13(3-5-14)15(17)22;2-1-3/h2-5,7,9-11H,6,8H2,1H3,(H2,17,22);1H,(H,2,3)
InChIKeyLCCNSBKISQAMBC-UHFFFAOYSA-N
XLogP1.33
TPSA116.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
CID 154924176
formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
CID 155940294
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbothioamide
CID 103015046
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
CID 146044354
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 80688800
N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide
CID 146040904
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide?
The IUPAC name of formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide (CID 154922508) is formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide.
What is the SMILES notation for formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide?
The canonical SMILES for formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide is Cn1cc(CCn2ccnc2-c2ccc(C(N)=O)cc2)cn1.O=CO.
What is the InChIKey of formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide?
The InChIKey is LCCNSBKISQAMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O.CH2O2/c1-20-11-12(10-19-20)6-8-21-9-7-18-16(21)14-4-2-13(3-5-14)15(17)22;2-1-3/h2-5,7,9-11H,6,8H2,1H3,(H2,17,22);1H,(H,2,3).
What are the key properties of formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide?
formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide is sourced from PubChem (CID 154922508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).