[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone

C16H20N4O — CID 124695746

IUPAC[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)cc2)CCN1
InChIInChI=1S/C16H20N4O/c1-13-11-19(10-8-17-13)16(21)15-5-3-14(4-6-15)12-20-9-2-7-18-20/h2-7,9,13,17H,8,10-12H2,1H3/t13-/m1/s1
InChIKeyDUPCZGJNVKWHAI-CYBMUJFWSA-N
MW284.36 g/mol
LogP1.37
Rot. Bonds3

About [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone

[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 124695746) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID124695746
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)cc2)CCN1
InChIInChI=1S/C16H20N4O/c1-13-11-19(10-8-17-13)16(21)15-5-3-14(4-6-15)12-20-9-2-7-18-20/h2-7,9,13,17H,8,10-12H2,1H3/t13-/m1/s1
InChIKeyDUPCZGJNVKWHAI-CYBMUJFWSA-N
XLogP1.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 110883852
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
(3S,4S)-3,4-dimethyl-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 154843214
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51954491
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
4-hydroxy-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 119250921
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone (CID 124695746) is [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone is C[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)cc2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is DUPCZGJNVKWHAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-11-19(10-8-17-13)16(21)15-5-3-14(4-6-15)12-20-9-2-7-18-20/h2-7,9,13,17H,8,10-12H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 284.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 124695746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).