(4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone

C18H17ClN2O3 — CID 717077

IUPAC(4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone
SMILESCCCc1ccc(OCc2ccc(C(=O)n3cc(Cl)cn3)o2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-2-3-13-4-6-15(7-5-13)23-12-16-8-9-17(24-16)18(22)21-11-14(19)10-20-21/h4-11H,2-3,12H2,1H3
InChIKeyPDHZMMDZJUUJRN-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.35
Rot. Bonds6

About (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone

(4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 717077) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone
PubChem CID717077
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone
SMILESCCCc1ccc(OCc2ccc(C(=O)n3cc(Cl)cn3)o2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-2-3-13-4-6-15(7-5-13)23-12-16-8-9-17(24-16)18(22)21-11-14(19)10-20-21/h4-11H,2-3,12H2,1H3
InChIKeyPDHZMMDZJUUJRN-UHFFFAOYSA-N
XLogP4.35
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone (CID 717077) is (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone is CCCc1ccc(OCc2ccc(C(=O)n3cc(Cl)cn3)o2)cc1.
What is the InChIKey of (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is PDHZMMDZJUUJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-2-3-13-4-6-15(7-5-13)23-12-16-8-9-17(24-16)18(22)21-11-14(19)10-20-21/h4-11H,2-3,12H2,1H3.
What are the key properties of (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone?
(4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 344.80 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrazol-1-yl)-[5-[(4-propylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 717077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).