[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C19H19ClN4O2 — CID 19515009

IUPAC[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-15-5-3-14(4-6-15)17-12-18(22-21-17)19(25)24-9-7-23(8-10-24)13-16-2-1-11-26-16/h1-6,11-12H,7-10,13H2,(H,21,22)
InChIKeyFZEMJVOSLKYLLO-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.28
Rot. Bonds4

About [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19515009) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID19515009
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-15-5-3-14(4-6-15)17-12-18(22-21-17)19(25)24-9-7-23(8-10-24)13-16-2-1-11-26-16/h1-6,11-12H,7-10,13H2,(H,21,22)
InChIKeyFZEMJVOSLKYLLO-UHFFFAOYSA-N
XLogP3.28
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514994
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514998
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515001
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 19572522
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515115
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515184
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 119414620
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90590544
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 70848800

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 19515009) is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is FZEMJVOSLKYLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-5-3-14(4-6-15)17-12-18(22-21-17)19(25)24-9-7-23(8-10-24)13-16-2-1-11-26-16/h1-6,11-12H,7-10,13H2,(H,21,22).
What are the key properties of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 370.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19515009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).