N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide

C15H18N6O — CID 50960239

IUPACN,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C15H18N6O/c1-19-6-7-21-14(19)11(8-16-21)15(22)20(2)9-13-10-4-3-5-12(10)17-18-13/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyPWMHJZDLSLLTIU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.16
Rot. Bonds3

About N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide

N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50960239) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50960239
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C15H18N6O/c1-19-6-7-21-14(19)11(8-16-21)15(22)20(2)9-13-10-4-3-5-12(10)17-18-13/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyPWMHJZDLSLLTIU-UHFFFAOYSA-N
XLogP1.16
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137339686
1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 50981979
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77086051
N,1-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 156587065
N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 50966364
N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 77079827
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119058792
1-[1-methyl-5-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]pyrrol-3-yl]ethanone
CID 77080279
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664
2-(4-chloropyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpropanamide
CID 50959443

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide (CID 50960239) is N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide is CN(Cc1n[nH]c2c1CCC2)C(=O)c1cnn2ccn(C)c12.
What is the InChIKey of N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is PWMHJZDLSLLTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-19-6-7-21-14(19)11(8-16-21)15(22)20(2)9-13-10-4-3-5-12(10)17-18-13/h6-8H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50960239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).