[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone

C20H19ClN4O3 — CID 32534053

IUPAC[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O3/c21-18-4-2-1-3-15(18)12-25-13-17(11-22-25)20(27)24-8-6-23(7-9-24)19(26)16-5-10-28-14-16/h1-5,10-11,13-14H,6-9,12H2
InChIKeyUOSPWKSFRLRTOI-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.78
Rot. Bonds4

About [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 32534053) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID32534053
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O3/c21-18-4-2-1-3-15(18)12-25-13-17(11-22-25)20(27)24-8-6-23(7-9-24)19(26)16-5-10-28-14-16/h1-5,10-11,13-14H,6-9,12H2
InChIKeyUOSPWKSFRLRTOI-UHFFFAOYSA-N
XLogP2.78
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38909971
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 39688452
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671528
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55901774
(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
N-benzyl-2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 30458634
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78898270
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156929
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 56812361
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 27146910
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 32534053) is [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1.
What is the InChIKey of [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is UOSPWKSFRLRTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-18-4-2-1-3-15(18)12-25-13-17(11-22-25)20(27)24-8-6-23(7-9-24)19(26)16-5-10-28-14-16/h1-5,10-11,13-14H,6-9,12H2.
What are the key properties of [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 398.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 32534053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).