(4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone

C14H21ClN4O — CID 50956918

IUPAC(4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCN1CCC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)C1
InChIInChI=1S/C14H21ClN4O/c1-17-6-3-14(10-17)4-7-19(8-5-14)13(20)12-11(15)9-18(2)16-12/h9H,3-8,10H2,1-2H3
InChIKeyNDUJLAXYAQJOGQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.63
Rot. Bonds1

About (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone

(4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 50956918) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID50956918
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCN1CCC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)C1
InChIInChI=1S/C14H21ClN4O/c1-17-6-3-14(10-17)4-7-19(8-5-14)13(20)12-11(15)9-18(2)16-12/h9H,3-8,10H2,1-2H3
InChIKeyNDUJLAXYAQJOGQ-UHFFFAOYSA-N
XLogP1.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone (CID 50956918) is (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone is CN1CCC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)C1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is NDUJLAXYAQJOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-17-6-3-14(10-17)4-7-19(8-5-14)13(20)12-11(15)9-18(2)16-12/h9H,3-8,10H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone?
(4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 50956918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).