4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid

C14H22N4O2 — CID 131913931

IUPAC4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid
SMILESCN1CCC2(CC1)CCN(Cc1cn[nH]c1C(=O)O)C2
InChIInChI=1S/C14H22N4O2/c1-17-5-2-14(3-6-17)4-7-18(10-14)9-11-8-15-16-12(11)13(19)20/h8H,2-7,9-10H2,1H3,(H,15,16)(H,19,20)
InChIKeyJWUDIPVXMQBMKX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.03
Rot. Bonds3

About 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid

4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 131913931) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID131913931
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid
SMILESCN1CCC2(CC1)CCN(Cc1cn[nH]c1C(=O)O)C2
InChIInChI=1S/C14H22N4O2/c1-17-5-2-14(3-6-17)4-7-18(10-14)9-11-8-15-16-12(11)13(19)20/h8H,2-7,9-10H2,1H3,(H,15,16)(H,19,20)
InChIKeyJWUDIPVXMQBMKX-UHFFFAOYSA-N
XLogP1.03
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid (CID 131913931) is 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid is CN1CCC2(CC1)CCN(Cc1cn[nH]c1C(=O)O)C2.
What is the InChIKey of 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is JWUDIPVXMQBMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-5-2-14(3-6-17)4-7-18(10-14)9-11-8-15-16-12(11)13(19)20/h8H,2-7,9-10H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid?
4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 131913931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).