(4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C16H23ClN6O — CID 4771562

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(CN2CCN(C(=O)c3nn(C)cc3Cl)CC2)c1C
InChIInChI=1S/C16H23ClN6O/c1-4-23-12(2)13(9-18-23)10-21-5-7-22(8-6-21)16(24)15-14(17)11-20(3)19-15/h9,11H,4-8,10H2,1-3H3
InChIKeySGPDUDCEYBLBTP-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.56
Rot. Bonds4

About (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

(4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 4771562) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID4771562
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(CN2CCN(C(=O)c3nn(C)cc3Cl)CC2)c1C
InChIInChI=1S/C16H23ClN6O/c1-4-23-12(2)13(9-18-23)10-21-5-7-22(8-6-21)16(24)15-14(17)11-20(3)19-15/h9,11H,4-8,10H2,1-3H3
InChIKeySGPDUDCEYBLBTP-UHFFFAOYSA-N
XLogP1.56
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771902
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329
4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263350
4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 19263507
4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263508
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 4769449

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 4771562) is (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is CCn1ncc(CN2CCN(C(=O)c3nn(C)cc3Cl)CC2)c1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is SGPDUDCEYBLBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O/c1-4-23-12(2)13(9-18-23)10-21-5-7-22(8-6-21)16(24)15-14(17)11-20(3)19-15/h9,11H,4-8,10H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 350.85 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 4771562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).