5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one

C10H10ClN5O2 — CID 166301077

IUPAC5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one
SMILESO=C(c1[nH]ncc1Cl)N1CC(c2cc(=O)[nH][nH]2)C1
InChIInChI=1S/C10H10ClN5O2/c11-6-2-12-15-9(6)10(18)16-3-5(4-16)7-1-8(17)14-13-7/h1-2,5H,3-4H2,(H,12,15)(H2,13,14,17)
InChIKeyZSLOJBCPRZLYFE-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.32
Rot. Bonds2

About 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one

5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one (PubChem CID 166301077) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one
PubChem CID166301077
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one
SMILESO=C(c1[nH]ncc1Cl)N1CC(c2cc(=O)[nH][nH]2)C1
InChIInChI=1S/C10H10ClN5O2/c11-6-2-12-15-9(6)10(18)16-3-5(4-16)7-1-8(17)14-13-7/h1-2,5H,3-4H2,(H,12,15)(H2,13,14,17)
InChIKeyZSLOJBCPRZLYFE-UHFFFAOYSA-N
XLogP0.32
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-chloro-1H-pyrazol-5-yl)methanone
CID 72922506
(4-chloro-1H-pyrazol-5-yl)-[8-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 167747172
(4-chloro-1H-pyrazol-5-yl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 56875311
5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide
CID 166394355
2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid
CID 126441361
(4-chloro-1H-pyrazol-5-yl)-[(1R,2S,8S,9S)-8-[(3-fluorophenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methanone
CID 163304972
1'-(4-chloro-1H-pyrazole-5-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 110245238
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
7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 167752083
(5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride
CID 136959633
(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 56725958

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one (CID 166301077) is 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one is O=C(c1[nH]ncc1Cl)N1CC(c2cc(=O)[nH][nH]2)C1.
What is the InChIKey of 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is ZSLOJBCPRZLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c11-6-2-12-15-9(6)10(18)16-3-5(4-16)7-1-8(17)14-13-7/h1-2,5H,3-4H2,(H,12,15)(H2,13,14,17).
What are the key properties of 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one?
5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 267.68 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 166301077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).