N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C18H18N6O — CID 50982007

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NC(Cn3ccnc3)c3ccccc3)c12
InChIInChI=1S/C18H18N6O/c1-22-9-10-24-18(22)15(11-20-24)17(25)21-16(12-23-8-7-19-13-23)14-5-3-2-4-6-14/h2-11,13,16H,12H2,1H3,(H,21,25)
InChIKeySNBIDXGZRIRGOX-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.04
Rot. Bonds5

About N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50982007) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50982007
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NC(Cn3ccnc3)c3ccccc3)c12
InChIInChI=1S/C18H18N6O/c1-22-9-10-24-18(22)15(11-20-24)17(25)21-16(12-23-8-7-19-13-23)14-5-3-2-4-6-14/h2-11,13,16H,12H2,1H3,(H,21,25)
InChIKeySNBIDXGZRIRGOX-UHFFFAOYSA-N
XLogP2.04
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 50982007) is N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)NC(Cn3ccnc3)c3ccccc3)c12.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is SNBIDXGZRIRGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-22-9-10-24-18(22)15(11-20-24)17(25)21-16(12-23-8-7-19-13-23)14-5-3-2-4-6-14/h2-11,13,16H,12H2,1H3,(H,21,25).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50982007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).