N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide

C18H18N4O2 — CID 58440990

IUPACN-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESCOc1cccc(N2CCn3nc(NC(=O)C4=CC=CC4)cc32)c1
InChIInChI=1S/C18H18N4O2/c1-24-15-8-4-7-14(11-15)21-9-10-22-17(21)12-16(20-22)19-18(23)13-5-2-3-6-13/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,19,20,23)
InChIKeyDZHLUNMAHALWAK-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.87
Rot. Bonds4

About N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide

N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 58440990) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID58440990
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESCOc1cccc(N2CCn3nc(NC(=O)C4=CC=CC4)cc32)c1
InChIInChI=1S/C18H18N4O2/c1-24-15-8-4-7-14(11-15)21-9-10-22-17(21)12-16(20-22)19-18(23)13-5-2-3-6-13/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,19,20,23)
InChIKeyDZHLUNMAHALWAK-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(1-pyridin-3-yl-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl)urea
CID 58440737
2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide
CID 58440928
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
CID 46106932
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide (CID 58440990) is N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide is COc1cccc(N2CCn3nc(NC(=O)C4=CC=CC4)cc32)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is DZHLUNMAHALWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-8-4-7-14(11-15)21-9-10-22-17(21)12-16(20-22)19-18(23)13-5-2-3-6-13/h2-5,7-8,11-12H,6,9-10H2,1H3,(H,19,20,23).
What are the key properties of N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide?
N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 58440990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).