N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C19H26N4O — CID 99931868

IUPACN-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCC12C[C@H]3C[C@H](C1)CC(NC(=O)c1cnn4ccn(C)c14)(C3)C2
InChIInChI=1S/C19H26N4O/c1-3-18-7-13-6-14(8-18)10-19(9-13,12-18)21-16(24)15-11-20-23-5-4-22(2)17(15)23/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,21,24)/t13-,14-,18?,19?/m1/s1
InChIKeyMGIPLVOHOFLNRG-CXTCDGGRSA-N
MW326.44 g/mol
LogP3.15
Rot. Bonds3

About N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 99931868) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID99931868
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCC12C[C@H]3C[C@H](C1)CC(NC(=O)c1cnn4ccn(C)c14)(C3)C2
InChIInChI=1S/C19H26N4O/c1-3-18-7-13-6-14(8-18)10-19(9-13,12-18)21-16(24)15-11-20-23-5-4-22(2)17(15)23/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,21,24)/t13-,14-,18?,19?/m1/s1
InChIKeyMGIPLVOHOFLNRG-CXTCDGGRSA-N
XLogP3.15
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 99931868) is N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is CCC12C[C@H]3C[C@H](C1)CC(NC(=O)c1cnn4ccn(C)c14)(C3)C2.
What is the InChIKey of N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is MGIPLVOHOFLNRG-CXTCDGGRSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-18-7-13-6-14(8-18)10-19(9-13,12-18)21-16(24)15-11-20-23-5-4-22(2)17(15)23/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,21,24)/t13-,14-,18?,19?/m1/s1.
What are the key properties of N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,7R)-3-ethyl-1-adamantyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 99931868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).