N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide

C14H17N7O — CID 50966364

IUPACN,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCNc1ncc(CN(C)C(=O)c2cnn3ccn(C)c23)cn1
InChIInChI=1S/C14H17N7O/c1-15-14-16-6-10(7-17-14)9-20(3)13(22)11-8-18-21-5-4-19(2)12(11)21/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyUGIWIFXLIJLYKN-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.78
Rot. Bonds4

About N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide

N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50966364) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50966364
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCNc1ncc(CN(C)C(=O)c2cnn3ccn(C)c23)cn1
InChIInChI=1S/C14H17N7O/c1-15-14-16-6-10(7-17-14)9-20(3)13(22)11-8-18-21-5-4-19(2)12(11)21/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyUGIWIFXLIJLYKN-UHFFFAOYSA-N
XLogP0.78
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
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N,1-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
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CID 50956664
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N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
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1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 122567110
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50957554
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 50966364) is N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide is CNc1ncc(CN(C)C(=O)c2cnn3ccn(C)c23)cn1.
What is the InChIKey of N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is UGIWIFXLIJLYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-15-14-16-6-10(7-17-14)9-20(3)13(22)11-8-18-21-5-4-19(2)12(11)21/h4-8H,9H2,1-3H3,(H,15,16,17).
What are the key properties of N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50966364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).