3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

C16H20ClN5O — CID 19572708

IUPAC3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H20ClN5O/c17-15-11-19-22(13-15)5-3-16(23)21-8-6-20(7-9-21)12-14-2-1-4-18-10-14/h1-2,4,10-11,13H,3,5-9,12H2
InChIKeyRLDFRSNIQNZMSG-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.67
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 19572708) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID19572708
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H20ClN5O/c17-15-11-19-22(13-15)5-3-16(23)21-8-6-20(7-9-21)12-14-2-1-4-18-10-14/h1-2,4,10-11,13H,3,5-9,12H2
InChIKeyRLDFRSNIQNZMSG-UHFFFAOYSA-N
XLogP1.67
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482886
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
2-(4-chlorophenyl)sulfanyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045018
(4-chloro-1-methylpyrrol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56810688
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
CID 74236287
3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 166329070
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55483676
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one (CID 19572708) is 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CCn1cc(Cl)cn1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is RLDFRSNIQNZMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c17-15-11-19-22(13-15)5-3-16(23)21-8-6-20(7-9-21)12-14-2-1-4-18-10-14/h1-2,4,10-11,13H,3,5-9,12H2.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one?
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 333.82 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19572708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).