[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride

C14H18Cl2N4O2 — CID 24792477

IUPAC[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1.Cl
InChIInChI=1S/C14H17ClN4O2.ClH/c1-17-4-6-18(7-5-17)14(20)13-3-2-12(21-13)10-19-9-11(15)8-16-19;/h2-3,8-9H,4-7,10H2,1H3;1H
InChIKeyCNAKYZXILNYGKR-UHFFFAOYSA-N
MW345.23 g/mol
LogP1.99
Rot. Bonds3

About [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride

[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 24792477) has the molecular formula C14H18Cl2N4O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID24792477
Molecular FormulaC14H18Cl2N4O2
Molecular Weight345.23 g/mol
Exact Mass344.08
IUPAC Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1.Cl
InChIInChI=1S/C14H17ClN4O2.ClH/c1-17-4-6-18(7-5-17)14(20)13-3-2-12(21-13)10-19-9-11(15)8-16-19;/h2-3,8-9H,4-7,10H2,1H3;1H
InChIKeyCNAKYZXILNYGKR-UHFFFAOYSA-N
XLogP1.99
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 24792477) is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride is CN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1.Cl.
What is the InChIKey of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is CNAKYZXILNYGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2.ClH/c1-17-4-6-18(7-5-17)14(20)13-3-2-12(21-13)10-19-9-11(15)8-16-19;/h2-3,8-9H,4-7,10H2,1H3;1H.
What are the key properties of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride?
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 345.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 24792477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).