(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane

C12H20N4 — CID 125458334

IUPAC(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
SMILESCCn1cc([C@@H]2NCC23CCNCC3)cn1
InChIInChI=1S/C12H20N4/c1-2-16-8-10(7-15-16)11-12(9-14-11)3-5-13-6-4-12/h7-8,11,13-14H,2-6,9H2,1H3/t11-/m0/s1
InChIKeyRQLBCZIOYZDJTJ-NSHDSACASA-N
MW220.32 g/mol
LogP0.92
Rot. Bonds2

About (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane

(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane (PubChem CID 125458334) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
PubChem CID125458334
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
SMILESCCn1cc([C@@H]2NCC23CCNCC3)cn1
InChIInChI=1S/C12H20N4/c1-2-16-8-10(7-15-16)11-12(9-14-11)3-5-13-6-4-12/h7-8,11,13-14H,2-6,9H2,1H3/t11-/m0/s1
InChIKeyRQLBCZIOYZDJTJ-NSHDSACASA-N
XLogP0.92
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
CID 130575204
4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
CID 112563242
4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899675
(3R)-7,7-difluoro-3-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane
CID 125457899
1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
CID 112564397
4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
CID 114608497
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
CID 79452025
4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570829

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane (CID 125458334) is (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane is CCn1cc([C@@H]2NCC23CCNCC3)cn1.
What is the InChIKey of (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is RQLBCZIOYZDJTJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4/c1-2-16-8-10(7-15-16)11-12(9-14-11)3-5-13-6-4-12/h7-8,11,13-14H,2-6,9H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane?
(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 220.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 125458334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).