1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide

C17H24N6O — CID 98895536

IUPAC1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC3(CCN(Cc4cncn4C)C3)C2)cn1
InChIInChI=1S/C17H24N6O/c1-21-12-18-8-15(21)10-23-4-3-17(11-23)5-14(6-17)20-16(24)13-7-19-22(2)9-13/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,20,24)
InChIKeyCBWGULGJPYUPAT-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.94
Rot. Bonds4

About 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide

1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide (PubChem CID 98895536) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
PubChem CID98895536
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC3(CCN(Cc4cncn4C)C3)C2)cn1
InChIInChI=1S/C17H24N6O/c1-21-12-18-8-15(21)10-23-4-3-17(11-23)5-14(6-17)20-16(24)13-7-19-22(2)9-13/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,20,24)
InChIKeyCBWGULGJPYUPAT-UHFFFAOYSA-N
XLogP0.94
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide (CID 98895536) is 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CC3(CCN(Cc4cncn4C)C3)C2)cn1.
What is the InChIKey of 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
The InChIKey is CBWGULGJPYUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21-12-18-8-15(21)10-23-4-3-17(11-23)5-14(6-17)20-16(24)13-7-19-22(2)9-13/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 98895536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).