1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide

C18H20N4O2 — CID 122567110

IUPAC1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCC3(COc4ccccc4)CC3)c12
InChIInChI=1S/C18H20N4O2/c1-21-9-10-22-17(21)15(11-20-22)16(23)19-12-18(7-8-18)13-24-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12-13H2,1H3,(H,19,23)
InChIKeyAYITXEPIJMLMIT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.26
Rot. Bonds6

About 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 122567110) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID122567110
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCC3(COc4ccccc4)CC3)c12
InChIInChI=1S/C18H20N4O2/c1-21-9-10-22-17(21)15(11-20-22)16(23)19-12-18(7-8-18)13-24-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12-13H2,1H3,(H,19,23)
InChIKeyAYITXEPIJMLMIT-UHFFFAOYSA-N
XLogP2.26
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide with MolForge

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Related Compounds

3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122572722
1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
CID 131939420
(2R)-2-methoxy-N-[[1-(phenoxymethyl)cyclopropyl]methyl]propanamide
CID 126423849
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
CID 118782174
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
CID 131942164
N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 162796893
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50974131
(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 125447128
1-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 50969158
1-[(pyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 103791309
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50957554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 122567110) is 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)NCC3(COc4ccccc4)CC3)c12.
What is the InChIKey of 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is AYITXEPIJMLMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-9-10-22-17(21)15(11-20-22)16(23)19-12-18(7-8-18)13-24-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12-13H2,1H3,(H,19,23).
What are the key properties of 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 122567110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).