1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone

C13H15N5O — CID 77082727

IUPAC1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C13H15N5O/c19-13(11-8-15-16-9-11)18-6-4-17(5-7-18)12-2-1-3-14-10-12/h1-3,8-10H,4-7H2,(H,15,16)
InChIKeyPEBQMPFXQJPAQL-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.77
Rot. Bonds2

About 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone

1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 77082727) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID77082727
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C13H15N5O/c19-13(11-8-15-16-9-11)18-6-4-17(5-7-18)12-2-1-3-14-10-12/h1-3,8-10H,4-7H2,(H,15,16)
InChIKeyPEBQMPFXQJPAQL-UHFFFAOYSA-N
XLogP0.77
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60787653
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546
3-chloro-4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]benzonitrile
CID 122150780
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231715
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
1-(1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 62045064

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone (CID 77082727) is 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone is O=C(c1cn[nH]c1)N1CCN(c2cccnc2)CC1.
What is the InChIKey of 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is PEBQMPFXQJPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(11-8-15-16-9-11)18-6-4-17(5-7-18)12-2-1-3-14-10-12/h1-3,8-10H,4-7H2,(H,15,16).
What are the key properties of 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone?
1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 257.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-(4-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 77082727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).