N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide

C16H26N4O — CID 127888702

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-13-14(11-18-19-13)10-17-15(21)20-9-5-8-16(12-20)6-3-2-4-7-16/h11H,2-10,12H2,1H3,(H,17,21)(H,18,19)
InChIKeyAFTBCQPKBZUUMZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.97
Rot. Bonds2

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 127888702) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID127888702
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-13-14(11-18-19-13)10-17-15(21)20-9-5-8-16(12-20)6-3-2-4-7-16/h11H,2-10,12H2,1H3,(H,17,21)(H,18,19)
InChIKeyAFTBCQPKBZUUMZ-UHFFFAOYSA-N
XLogP2.97
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide (CID 127888702) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide is Cc1[nH]ncc1CNC(=O)N1CCCC2(CCCCC2)C1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is AFTBCQPKBZUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-14(11-18-19-13)10-17-15(21)20-9-5-8-16(12-20)6-3-2-4-7-16/h11H,2-10,12H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 127888702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).