(4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone

C16H26ClN5O — CID 56750005

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C16H26ClN5O/c1-4-22-14(13(17)11-18-22)15(23)21-10-9-20(3)16(12-21)5-7-19(2)8-6-16/h11H,4-10,12H2,1-3H3
InChIKeyYQCORRUTMNNSIT-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.41
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 56750005) has the molecular formula C16H26ClN5O and a molecular weight of 339.87 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
PubChem CID56750005
Molecular FormulaC16H26ClN5O
Molecular Weight339.87 g/mol
Exact Mass339.18
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C16H26ClN5O/c1-4-22-14(13(17)11-18-22)15(23)21-10-9-20(3)16(12-21)5-7-19(2)8-6-16/h11H,4-10,12H2,1-3H3
InChIKeyYQCORRUTMNNSIT-UHFFFAOYSA-N
XLogP1.41
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
N-(1-adamantyl)-4-chloro-N,1-dimethylpyrazole-3-carboxamide
CID 3694136
N-(1-adamantyl)-4-chloro-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 7824863
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-Adamantanylpiperazinyl 4-chloro-1-methylpyrazol-5-yl ketone
CID 4576838
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263350
4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 19263507
4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263508

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone (CID 56750005) is (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone is CCn1ncc(Cl)c1C(=O)N1CCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is YQCORRUTMNNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN5O/c1-4-22-14(13(17)11-18-22)15(23)21-10-9-20(3)16(12-21)5-7-19(2)8-6-16/h11H,4-10,12H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 339.87 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 56750005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).