(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone

C17H19N5O — CID 145315981

IUPAC(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
SMILESC#Cc1ccc(CN2CCN(C(=O)n3cc(N)cn3)CC2)cc1
InChIInChI=1S/C17H19N5O/c1-2-14-3-5-15(6-4-14)12-20-7-9-21(10-8-20)17(23)22-13-16(18)11-19-22/h1,3-6,11,13H,7-10,12,18H2
InChIKeyLAFIQEJAIQPFDO-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.23
Rot. Bonds2

About (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone

(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 145315981) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID145315981
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
SMILESC#Cc1ccc(CN2CCN(C(=O)n3cc(N)cn3)CC2)cc1
InChIInChI=1S/C17H19N5O/c1-2-14-3-5-15(6-4-14)12-20-7-9-21(10-8-20)17(23)22-13-16(18)11-19-22/h1,3-6,11,13H,7-10,12,18H2
InChIKeyLAFIQEJAIQPFDO-UHFFFAOYSA-N
XLogP1.23
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4-aminopyrazol-1-yl)-[4-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 145316065
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615
(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526605
(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 145316030
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-methylpyrazole-4-carboxamide
CID 118526909
N-methyl-N-[1-[4-[(4-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
CID 135375904
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 130187588
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526425
1-[(4-ethynylphenyl)methyl]piperidine;1H-indazol-5-amine
CID 143703747

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone (CID 145315981) is (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone is C#Cc1ccc(CN2CCN(C(=O)n3cc(N)cn3)CC2)cc1.
What is the InChIKey of (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LAFIQEJAIQPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-14-3-5-15(6-4-14)12-20-7-9-21(10-8-20)17(23)22-13-16(18)11-19-22/h1,3-6,11,13H,7-10,12,18H2.
What are the key properties of (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone?
(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 145315981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).