N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

C15H15N5O — CID 115620205

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H15N5O/c21-15(18-7-6-13-16-8-9-17-13)12-10-19-20-14(12)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)(H,18,21)(H,19,20)
InChIKeyDKTSHPBAFZJUSW-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 115620205) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID115620205
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H15N5O/c21-15(18-7-6-13-16-8-9-17-13)12-10-19-20-14(12)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)(H,18,21)(H,19,20)
InChIKeyDKTSHPBAFZJUSW-UHFFFAOYSA-N
XLogP1.77
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
N-[2-(1H-imidazol-2-yl)ethyl]-2-nitrobenzamide
CID 115620304
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 115619996
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 115620205) is N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCCc1ncc[nH]1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is DKTSHPBAFZJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(18-7-6-13-16-8-9-17-13)12-10-19-20-14(12)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115620205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).