(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone

C13H19ClN4O — CID 56875311

IUPAC(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1[nH]ncc1Cl)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C13H19ClN4O/c14-10-9-16-17-11(10)12(19)18-7-3-13(4-8-18)1-5-15-6-2-13/h9,15H,1-8H2,(H,16,17)
InChIKeySQBUJRRXNQCLCU-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.67
Rot. Bonds1

About (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone

(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 56875311) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID56875311
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1[nH]ncc1Cl)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C13H19ClN4O/c14-10-9-16-17-11(10)12(19)18-7-3-13(4-8-18)1-5-15-6-2-13/h9,15H,1-8H2,(H,16,17)
InChIKeySQBUJRRXNQCLCU-UHFFFAOYSA-N
XLogP1.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-chloro-1H-pyrazol-5-yl)methanone
CID 72922506
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
8-(4-chloro-1H-pyrazole-5-carbonyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172912595
(4-chloro-1H-pyrazol-5-yl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19514719
(4-chloro-1H-pyrazol-5-yl)-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19514739
(6-amino-3-chloro-2-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162057
5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one
CID 166301077
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 154891284
8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
CID 81226318
(3-chloro-6-sulfanylidene-1H-pyridin-2-yl)-piperazin-1-ylmethanone
CID 82512043

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 56875311) is (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone is O=C(c1[nH]ncc1Cl)N1CCC2(CCNCC2)CC1.
What is the InChIKey of (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is SQBUJRRXNQCLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-10-9-16-17-11(10)12(19)18-7-3-13(4-8-18)1-5-15-6-2-13/h9,15H,1-8H2,(H,16,17).
What are the key properties of (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone?
(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 56875311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).