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

C14H17ClN4O2 — CID 1084312

IUPAC[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1
InChIInChI=1S/C14H17ClN4O2/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
InChIKeyRHHLREHCUXPHCJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.57
Rot. Bonds3

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

[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 1084312) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID1084312
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1
InChIInChI=1S/C14H17ClN4O2/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
InChIKeyRHHLREHCUXPHCJ-UHFFFAOYSA-N
XLogP1.57
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.57
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?
The IUPAC name of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 1084312) is [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1.
What is the InChIKey of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RHHLREHCUXPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/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.
What are the key properties of [5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 308.77 g/mol, XLogP of 1.57, 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 is sourced from PubChem (CID 1084312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).