N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide

C19H28N6O — CID 129465718

IUPACN-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(Cc2nccn2CC)[C@@H]2CC23CCNCC3)cn1
InChIInChI=1S/C19H28N6O/c1-3-23-10-9-21-17(23)14-25(16-11-19(16)5-7-20-8-6-19)18(26)15-12-22-24(4-2)13-15/h9-10,12-13,16,20H,3-8,11,14H2,1-2H3/t16-/m1/s1
InChIKeyDRMUBYKTMIOLBD-MRXNPFEDSA-N
MW356.47 g/mol
LogP1.90
Rot. Bonds6

About N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 129465718) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID129465718
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(Cc2nccn2CC)[C@@H]2CC23CCNCC3)cn1
InChIInChI=1S/C19H28N6O/c1-3-23-10-9-21-17(23)14-25(16-11-19(16)5-7-20-8-6-19)18(26)15-12-22-24(4-2)13-15/h9-10,12-13,16,20H,3-8,11,14H2,1-2H3/t16-/m1/s1
InChIKeyDRMUBYKTMIOLBD-MRXNPFEDSA-N
XLogP1.90
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide (CID 129465718) is N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(Cc2nccn2CC)[C@@H]2CC23CCNCC3)cn1.
What is the InChIKey of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is DRMUBYKTMIOLBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-23-10-9-21-17(23)14-25(16-11-19(16)5-7-20-8-6-19)18(26)15-12-22-24(4-2)13-15/h9-10,12-13,16,20H,3-8,11,14H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129465718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).