1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone

C10H11N5O — CID 126900110

IUPAC1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC(n2cccn2)C1
InChIInChI=1S/C10H11N5O/c16-10(9-2-4-11-13-9)14-6-8(7-14)15-5-1-3-12-15/h1-5,8H,6-7H2,(H,11,13)
InChIKeyXPRJUFMINCXGFN-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.30
Rot. Bonds2

About 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone

1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone (PubChem CID 126900110) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
PubChem CID126900110
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC(n2cccn2)C1
InChIInChI=1S/C10H11N5O/c16-10(9-2-4-11-13-9)14-6-8(7-14)15-5-1-3-12-15/h1-5,8H,6-7H2,(H,11,13)
InChIKeyXPRJUFMINCXGFN-UHFFFAOYSA-N
XLogP0.30
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 126892861
4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
CID 126900137
(3aS,6aR)-5-phenyl-2-(1H-pyrazole-5-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 133137537
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120746910
6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139027620
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 126900088
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 86881855

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The IUPAC name of 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone (CID 126900110) is 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The canonical SMILES for 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone is O=C(c1ccn[nH]1)N1CC(n2cccn2)C1.
What is the InChIKey of 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The InChIKey is XPRJUFMINCXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c16-10(9-2-4-11-13-9)14-6-8(7-14)15-5-1-3-12-15/h1-5,8H,6-7H2,(H,11,13).
What are the key properties of 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone has a molecular weight of 217.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 126900110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).