(4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

C17H21ClN4O2 — CID 6464877

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C17H21ClN4O2/c1-3-24-15-7-5-4-6-14(15)21-8-10-22(11-9-21)17(23)16-13(18)12-19-20(16)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyLVRVDCYFXLCHOZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.43
Rot. Bonds4

About (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 6464877) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID6464877
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C17H21ClN4O2/c1-3-24-15-7-5-4-6-14(15)21-8-10-22(11-9-21)17(23)16-13(18)12-19-20(16)2/h4-7,12H,3,8-11H2,1-2H3
InChIKeyLVRVDCYFXLCHOZ-UHFFFAOYSA-N
XLogP2.43
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
4-chloro-2-ethyl-N-(2-methoxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 831843
4-bromo-N-(2-ethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903277
(3S)-3-[2-(cyclobutylmethyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308888
N-(3-{N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide
CID 9622208
(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190415
US10023559, Example 21
CID 118903535
1-[(5-chloro-2-pyridinyl)methyl]-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130313963
(4-Chloro-2-methylpyrazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6469727
1-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 25284334
3-Chloro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974056
US10023559, Example 22
CID 118903534

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 6464877) is (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is LVRVDCYFXLCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-3-24-15-7-5-4-6-14(15)21-8-10-22(11-9-21)17(23)16-13(18)12-19-20(16)2/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 348.83 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 6464877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).